(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine

C33H55N3 — CID 126662046

IUPAC(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine
SMILESC=NCN1CCC(CCC(/C=C\CC2=CCC(C(C)NCC/C=C\C=C/C(C)CC)CC2)=C/C)CC1
InChIInChI=1S/C33H55N3/c1-6-28(3)13-10-8-9-11-24-35-29(4)33-20-18-31(19-21-33)15-12-14-30(7-2)16-17-32-22-25-36(26-23-32)27-34-5/h7-10,12-14,18,28-29,32-33,35H,5-6,11,15-17,19-27H2,1-4H3/b9-8-,13-10-,14-12-,30-7+
InChIKeyNIGDKZSEOWNZDS-QWOXTQDGSA-N
MW493.82 g/mol
LogP8.28
Rot. Bonds16

About (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine

(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine (PubChem CID 126662046) has the molecular formula C33H55N3 and a molecular weight of 493.82 g/mol. Its IUPAC name is (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine
PubChem CID126662046
Molecular FormulaC33H55N3
Molecular Weight493.82 g/mol
Exact Mass493.44
IUPAC Name(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine
SMILESC=NCN1CCC(CCC(/C=C\CC2=CCC(C(C)NCC/C=C\C=C/C(C)CC)CC2)=C/C)CC1
InChIInChI=1S/C33H55N3/c1-6-28(3)13-10-8-9-11-24-35-29(4)33-20-18-31(19-21-33)15-12-14-30(7-2)16-17-32-22-25-36(26-23-32)27-34-5/h7-10,12-14,18,28-29,32-33,35H,5-6,11,15-17,19-27H2,1-4H3/b9-8-,13-10-,14-12-,30-7+
InChIKeyNIGDKZSEOWNZDS-QWOXTQDGSA-N
XLogP8.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.82
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine with MolForge

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Related Compounds

CID 89643674
CID 89643674
CID 134382678
CID 134382678
CID 139453474
CID 139453474
CID 145621979
CID 145621979
CID 145686207
CID 145686207
CID 155148848
CID 155148848
CID 156144732
CID 156144732
CID 166922355
CID 166922355
CID 170066816
CID 170066816
CID 177154489
CID 177154489

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine (CID 126662046) is (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine is C=NCN1CCC(CCC(/C=C\CC2=CCC(C(C)NCC/C=C\C=C/C(C)CC)CC2)=C/C)CC1.
What is the InChIKey of (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine?
The InChIKey is NIGDKZSEOWNZDS-QWOXTQDGSA-N. The full InChI is InChI=1S/C33H55N3/c1-6-28(3)13-10-8-9-11-24-35-29(4)33-20-18-31(19-21-33)15-12-14-30(7-2)16-17-32-22-25-36(26-23-32)27-34-5/h7-10,12-14,18,28-29,32-33,35H,5-6,11,15-17,19-27H2,1-4H3/b9-8-,13-10-,14-12-,30-7+.
What are the key properties of (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine?
(3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine has a molecular weight of 493.82 g/mol, XLogP of 8.28, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methyl-N-[1-[4-[(2Z,4Z)-4-[2-[1-[(methylideneamino)methyl]piperidin-4-yl]ethyl]hexa-2,4-dienyl]cyclohex-3-en-1-yl]ethyl]nona-3,5-dien-1-amine is sourced from PubChem (CID 126662046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).