N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine

C18H35N — CID 54195042

IUPACN,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCC(C)N(CC=C(C)CCC=C(C)C)C(C)CC
InChIInChI=1S/C18H35N/c1-8-17(6)19(18(7)9-2)14-13-16(5)12-10-11-15(3)4/h11,13,17-18H,8-10,12,14H2,1-7H3
InChIKeyPLEVJESFFHQKMF-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.58
Rot. Bonds9

About N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine

N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 54195042) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID54195042
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCC(C)N(CC=C(C)CCC=C(C)C)C(C)CC
InChIInChI=1S/C18H35N/c1-8-17(6)19(18(7)9-2)14-13-16(5)12-10-11-15(3)4/h11,13,17-18H,8-10,12,14H2,1-7H3
InChIKeyPLEVJESFFHQKMF-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine (CID 54195042) is N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine is CCC(C)N(CC=C(C)CCC=C(C)C)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is PLEVJESFFHQKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-8-17(6)19(18(7)9-2)14-13-16(5)12-10-11-15(3)4/h11,13,17-18H,8-10,12,14H2,1-7H3.
What are the key properties of N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine?
N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 54195042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).