(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine

C25H46N2 — CID 166922355

IUPAC(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine
SMILESC/C=C(\C=C(\CC[C@H]1CCCCN1)CC(C)C(C)NC/C=C/CCC)CC
InChIInChI=1S/C25H46N2/c1-6-9-10-12-17-26-22(5)21(4)19-24(20-23(7-2)8-3)15-16-25-14-11-13-18-27-25/h7,10,12,20-22,25-27H,6,8-9,11,13-19H2,1-5H3/b12-10+,23-7-,24-20-/t21?,22?,25-/m1/s1
InChIKeyMBVXXKFHEXMLDP-DVNQTGIMSA-N
MW374.66 g/mol
LogP6.55
Rot. Bonds13

About (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine

(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine (PubChem CID 166922355) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine
PubChem CID166922355
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine
SMILESC/C=C(\C=C(\CC[C@H]1CCCCN1)CC(C)C(C)NC/C=C/CCC)CC
InChIInChI=1S/C25H46N2/c1-6-9-10-12-17-26-22(5)21(4)19-24(20-23(7-2)8-3)15-16-25-14-11-13-18-27-25/h7,10,12,20-22,25-27H,6,8-9,11,13-19H2,1-5H3/b12-10+,23-7-,24-20-/t21?,22?,25-/m1/s1
InChIKeyMBVXXKFHEXMLDP-DVNQTGIMSA-N
XLogP6.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine?
The IUPAC name of (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine (CID 166922355) is (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine.
What is the SMILES notation for (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine?
The canonical SMILES for (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine is C/C=C(\C=C(\CC[C@H]1CCCCN1)CC(C)C(C)NC/C=C/CCC)CC.
What is the InChIKey of (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine?
The InChIKey is MBVXXKFHEXMLDP-DVNQTGIMSA-N. The full InChI is InChI=1S/C25H46N2/c1-6-9-10-12-17-26-22(5)21(4)19-24(20-23(7-2)8-3)15-16-25-14-11-13-18-27-25/h7,10,12,20-22,25-27H,6,8-9,11,13-19H2,1-5H3/b12-10+,23-7-,24-20-/t21?,22?,25-/m1/s1.
What are the key properties of (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine?
(5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine has a molecular weight of 374.66 g/mol, XLogP of 6.55, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-7-ethyl-N-[(E)-hex-2-enyl]-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]nona-5,7-dien-2-amine is sourced from PubChem (CID 166922355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).