2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine

C22H43N — CID 88928174

IUPAC2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine
SMILESC/C=C(/CCC)N(CC(C)C)CC(CC)C(C)CCC=C(C)C
InChIInChI=1S/C22H43N/c1-9-13-22(11-3)23(16-19(6)7)17-21(10-2)20(8)15-12-14-18(4)5/h11,14,19-21H,9-10,12-13,15-17H2,1-8H3/b22-11-
InChIKeyZYDPQUOMYIBONE-JJFYIABZSA-N
MW321.59 g/mol
LogP7.06
Rot. Bonds12

About 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine

2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine (PubChem CID 88928174) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine
PubChem CID88928174
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine
SMILESC/C=C(/CCC)N(CC(C)C)CC(CC)C(C)CCC=C(C)C
InChIInChI=1S/C22H43N/c1-9-13-22(11-3)23(16-19(6)7)17-21(10-2)20(8)15-12-14-18(4)5/h11,14,19-21H,9-10,12-13,15-17H2,1-8H3/b22-11-
InChIKeyZYDPQUOMYIBONE-JJFYIABZSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine?
The IUPAC name of 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine (CID 88928174) is 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine.
What is the SMILES notation for 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine?
The canonical SMILES for 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine is C/C=C(/CCC)N(CC(C)C)CC(CC)C(C)CCC=C(C)C.
What is the InChIKey of 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine?
The InChIKey is ZYDPQUOMYIBONE-JJFYIABZSA-N. The full InChI is InChI=1S/C22H43N/c1-9-13-22(11-3)23(16-19(6)7)17-21(10-2)20(8)15-12-14-18(4)5/h11,14,19-21H,9-10,12-13,15-17H2,1-8H3/b22-11-.
What are the key properties of 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine?
2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine has a molecular weight of 321.59 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine is sourced from PubChem (CID 88928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).