N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine

C13H30N2 — CID 115905627

IUPACN'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CC)NCCN(C)C(C)CC
InChIInChI=1S/C13H30N2/c1-6-9-13(8-3)14-10-11-15(5)12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyZYYGGQVZMFHSOE-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds9

About N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine (PubChem CID 115905627) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
PubChem CID115905627
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CC)NCCN(C)C(C)CC
InChIInChI=1S/C13H30N2/c1-6-9-13(8-3)14-10-11-15(5)12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyZYYGGQVZMFHSOE-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-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

N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62636047
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N-hexan-3-ylhexan-1-amine
CID 62117591
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62974974
N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
CID 115905349
N-but-3-ynylhexan-3-amine
CID 63656863
1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine (CID 115905627) is N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine is CCCC(CC)NCCN(C)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine?
The InChIKey is ZYYGGQVZMFHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-13(8-3)14-10-11-15(5)12(4)7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115905627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).