3-butyl-N'-methylhexane-1,6-diamine

C11H26N2 — CID 163747264

IUPAC3-butyl-N'-methylhexane-1,6-diamine
SMILESCCCCC(CCN)CCCNC
InChIInChI=1S/C11H26N2/c1-3-4-6-11(8-9-12)7-5-10-13-2/h11,13H,3-10,12H2,1-2H3
InChIKeyLMXWNXOGSMIONP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds9

About 3-butyl-N'-methylhexane-1,6-diamine

3-butyl-N'-methylhexane-1,6-diamine (PubChem CID 163747264) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-butyl-N'-methylhexane-1,6-diamine.

Molecular Properties

Compound Name3-butyl-N'-methylhexane-1,6-diamine
PubChem CID163747264
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-butyl-N'-methylhexane-1,6-diamine
SMILESCCCCC(CCN)CCCNC
InChIInChI=1S/C11H26N2/c1-3-4-6-11(8-9-12)7-5-10-13-2/h11,13H,3-10,12H2,1-2H3
InChIKeyLMXWNXOGSMIONP-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butyl-N'-methylhexane-1,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-octadecyldocosan-1-amine
CID 175605892
4-ethyl-N-methylnonan-1-amine
CID 174361476
3-butylheptylhydrazine
CID 142680848
N'-(7-methyloctyl)-3-propylhexane-1,6-diamine
CID 107815793
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
4-ethyl-N-methylhexan-1-amine;hydrochloride
CID 122164420
N-methylbutan-1-amine
CID 8068
(3R)-3-ethylnonan-1-amine
CID 163925868
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
N-methyl-3-nonylicos-11-en-1-amine
CID 166036929
2-butylhexan-1-amine
CID 54041151
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N'-methylhexane-1,6-diamine?
The IUPAC name of 3-butyl-N'-methylhexane-1,6-diamine (CID 163747264) is 3-butyl-N'-methylhexane-1,6-diamine.
What is the SMILES notation for 3-butyl-N'-methylhexane-1,6-diamine?
The canonical SMILES for 3-butyl-N'-methylhexane-1,6-diamine is CCCCC(CCN)CCCNC.
What is the InChIKey of 3-butyl-N'-methylhexane-1,6-diamine?
The InChIKey is LMXWNXOGSMIONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-3-4-6-11(8-9-12)7-5-10-13-2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 3-butyl-N'-methylhexane-1,6-diamine?
3-butyl-N'-methylhexane-1,6-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N'-methylhexane-1,6-diamine is sourced from PubChem (CID 163747264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).