(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine

C19H33N3 — CID 135248037

IUPAC(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine
SMILESC=NC(/C(=C\C)CCNCCC)=C(/C)C(=C)N1CCCCC1
InChIInChI=1S/C19H33N3/c1-6-12-21-13-11-18(7-2)19(20-5)16(3)17(4)22-14-9-8-10-15-22/h7,21H,4-6,8-15H2,1-3H3/b18-7-,19-16-
InChIKeyOEPFZSCSJSOYCV-YDTJDPFOSA-N
MW303.49 g/mol
LogP4.30
Rot. Bonds9

About (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine

(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine (PubChem CID 135248037) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine
PubChem CID135248037
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine
SMILESC=NC(/C(=C\C)CCNCCC)=C(/C)C(=C)N1CCCCC1
InChIInChI=1S/C19H33N3/c1-6-12-21-13-11-18(7-2)19(20-5)16(3)17(4)22-14-9-8-10-15-22/h7,21H,4-6,8-15H2,1-3H3/b18-7-,19-16-
InChIKeyOEPFZSCSJSOYCV-YDTJDPFOSA-N
XLogP4.30
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.30
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine?
The IUPAC name of (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine (CID 135248037) is (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine?
The canonical SMILES for (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine is C=NC(/C(=C\C)CCNCCC)=C(/C)C(=C)N1CCCCC1.
What is the InChIKey of (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine?
The InChIKey is OEPFZSCSJSOYCV-YDTJDPFOSA-N. The full InChI is InChI=1S/C19H33N3/c1-6-12-21-13-11-18(7-2)19(20-5)16(3)17(4)22-14-9-8-10-15-22/h7,21H,4-6,8-15H2,1-3H3/b18-7-,19-16-.
What are the key properties of (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine?
(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine has a molecular weight of 303.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine is sourced from PubChem (CID 135248037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).