(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine

C21H37N — CID 138485965

IUPAC(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine
SMILESC=C(CC(/C=C/CCC)CC(C)=CCC)C(C)/C(=C/C)NC
InChIInChI=1S/C21H37N/c1-8-11-12-14-20(15-17(4)13-9-2)16-18(5)19(6)21(10-3)22-7/h10,12-14,19-20,22H,5,8-9,11,15-16H2,1-4,6-7H3/b14-12+,17-13?,21-10-
InChIKeyBXUJMGNWXBJOMN-ITTDBGGTSA-N
MW303.53 g/mol
LogP6.41
Rot. Bonds11

About (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine

(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine (PubChem CID 138485965) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine.

Molecular Properties

Compound Name(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine
PubChem CID138485965
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine
SMILESC=C(CC(/C=C/CCC)CC(C)=CCC)C(C)/C(=C/C)NC
InChIInChI=1S/C21H37N/c1-8-11-12-14-20(15-17(4)13-9-2)16-18(5)19(6)21(10-3)22-7/h10,12-14,19-20,22H,5,8-9,11,15-16H2,1-4,6-7H3/b14-12+,17-13?,21-10-
InChIKeyBXUJMGNWXBJOMN-ITTDBGGTSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.41
H-Bond Donors ≤ 51
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 (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine?
The IUPAC name of (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine (CID 138485965) is (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine.
What is the SMILES notation for (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine?
The canonical SMILES for (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine is C=C(CC(/C=C/CCC)CC(C)=CCC)C(C)/C(=C/C)NC.
What is the InChIKey of (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine?
The InChIKey is BXUJMGNWXBJOMN-ITTDBGGTSA-N. The full InChI is InChI=1S/C21H37N/c1-8-11-12-14-20(15-17(4)13-9-2)16-18(5)19(6)21(10-3)22-7/h10,12-14,19-20,22H,5,8-9,11,15-16H2,1-4,6-7H3/b14-12+,17-13?,21-10-.
What are the key properties of (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine?
(2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine has a molecular weight of 303.53 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8E)-N,4-dimethyl-5-methylidene-7-(2-methylpent-2-enyl)dodeca-2,8-dien-3-amine is sourced from PubChem (CID 138485965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).