(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine

C22H41N — CID 129215252

IUPAC(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine
SMILESC/C=C\C(C)=C/C(CCC(C)C)CC(/C=C(/C)CC)CCNC
InChIInChI=1S/C22H41N/c1-8-10-20(6)16-21(12-11-18(3)4)17-22(13-14-23-7)15-19(5)9-2/h8,10,15-16,18,21-23H,9,11-14,17H2,1-7H3/b10-8-,19-15-,20-16-
InChIKeyVMUVWADQNDKNHF-SNXPAKOSSA-N
MW319.58 g/mol
LogP6.53
Rot. Bonds12

About (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine

(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine (PubChem CID 129215252) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine.

Molecular Properties

Compound Name(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine
PubChem CID129215252
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine
SMILESC/C=C\C(C)=C/C(CCC(C)C)CC(/C=C(/C)CC)CCNC
InChIInChI=1S/C22H41N/c1-8-10-20(6)16-21(12-11-18(3)4)17-22(13-14-23-7)15-19(5)9-2/h8,10,15-16,18,21-23H,9,11-14,17H2,1-7H3/b10-8-,19-15-,20-16-
InChIKeyVMUVWADQNDKNHF-SNXPAKOSSA-N
XLogP6.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine?
The IUPAC name of (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine (CID 129215252) is (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine.
What is the SMILES notation for (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine?
The canonical SMILES for (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine is C/C=C\C(C)=C/C(CCC(C)C)CC(/C=C(/C)CC)CCNC.
What is the InChIKey of (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine?
The InChIKey is VMUVWADQNDKNHF-SNXPAKOSSA-N. The full InChI is InChI=1S/C22H41N/c1-8-10-20(6)16-21(12-11-18(3)4)17-22(13-14-23-7)15-19(5)9-2/h8,10,15-16,18,21-23H,9,11-14,17H2,1-7H3/b10-8-,19-15-,20-16-.
What are the key properties of (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine?
(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine has a molecular weight of 319.58 g/mol, XLogP of 6.53, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine is sourced from PubChem (CID 129215252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).