N,N-dibutyl-2-butylideneoctan-1-amine

C20H41N — CID 73030808

IUPACN,N-dibutyl-2-butylideneoctan-1-amine
SMILESCCCC=C(CCCCCC)CN(CCCC)CCCC
InChIInChI=1S/C20H41N/c1-5-9-13-14-16-20(15-10-6-2)19-21(17-11-7-3)18-12-8-4/h15H,5-14,16-19H2,1-4H3
InChIKeyNSOVOBHCBJOXKP-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.59
Rot. Bonds15

About N,N-dibutyl-2-butylideneoctan-1-amine

N,N-dibutyl-2-butylideneoctan-1-amine (PubChem CID 73030808) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N,N-dibutyl-2-butylideneoctan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-2-butylideneoctan-1-amine
PubChem CID73030808
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN,N-dibutyl-2-butylideneoctan-1-amine
SMILESCCCC=C(CCCCCC)CN(CCCC)CCCC
InChIInChI=1S/C20H41N/c1-5-9-13-14-16-20(15-10-6-2)19-21(17-11-7-3)18-12-8-4/h15H,5-14,16-19H2,1-4H3
InChIKeyNSOVOBHCBJOXKP-UHFFFAOYSA-N
XLogP6.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-butylideneoctan-1-amine?
The IUPAC name of N,N-dibutyl-2-butylideneoctan-1-amine (CID 73030808) is N,N-dibutyl-2-butylideneoctan-1-amine.
What is the SMILES notation for N,N-dibutyl-2-butylideneoctan-1-amine?
The canonical SMILES for N,N-dibutyl-2-butylideneoctan-1-amine is CCCC=C(CCCCCC)CN(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-butylideneoctan-1-amine?
The InChIKey is NSOVOBHCBJOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-5-9-13-14-16-20(15-10-6-2)19-21(17-11-7-3)18-12-8-4/h15H,5-14,16-19H2,1-4H3.
What are the key properties of N,N-dibutyl-2-butylideneoctan-1-amine?
N,N-dibutyl-2-butylideneoctan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.59, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-butylideneoctan-1-amine is sourced from PubChem (CID 73030808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).