2-N-hex-1-yn-3-ylbutane-1,2-diamine

C10H20N2 — CID 106228269

IUPAC2-N-hex-1-yn-3-ylbutane-1,2-diamine
SMILESC#CC(CCC)NC(CC)CN
InChIInChI=1S/C10H20N2/c1-4-7-9(5-2)12-10(6-3)8-11/h2,9-10,12H,4,6-8,11H2,1,3H3
InChIKeyUMFFGALKSJIXKV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.12
Rot. Bonds6

About 2-N-hex-1-yn-3-ylbutane-1,2-diamine

2-N-hex-1-yn-3-ylbutane-1,2-diamine (PubChem CID 106228269) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-N-hex-1-yn-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-hex-1-yn-3-ylbutane-1,2-diamine
PubChem CID106228269
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-N-hex-1-yn-3-ylbutane-1,2-diamine
SMILESC#CC(CCC)NC(CC)CN
InChIInChI=1S/C10H20N2/c1-4-7-9(5-2)12-10(6-3)8-11/h2,9-10,12H,4,6-8,11H2,1,3H3
InChIKeyUMFFGALKSJIXKV-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-hex-1-yn-3-ylbutane-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

4-amino-3-(hex-1-yn-3-ylamino)-1-piperidin-1-ylbutan-1-one
CID 106228317
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
methyl 3-amino-2-(hex-1-yn-3-ylamino)propanoate
CID 106228592
N-pent-1-yn-3-ylheptan-3-amine
CID 106224922
1-(3,5-dimethylphenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228296
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
1-(2-bromo-5-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161092
2-(hex-1-yn-3-ylamino)-N'-hydroxypropanimidamide
CID 106230925
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528
2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959

Frequently Asked Questions

What is the IUPAC name of 2-N-hex-1-yn-3-ylbutane-1,2-diamine?
The IUPAC name of 2-N-hex-1-yn-3-ylbutane-1,2-diamine (CID 106228269) is 2-N-hex-1-yn-3-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-hex-1-yn-3-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-hex-1-yn-3-ylbutane-1,2-diamine is C#CC(CCC)NC(CC)CN.
What is the InChIKey of 2-N-hex-1-yn-3-ylbutane-1,2-diamine?
The InChIKey is UMFFGALKSJIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-9(5-2)12-10(6-3)8-11/h2,9-10,12H,4,6-8,11H2,1,3H3.
What are the key properties of 2-N-hex-1-yn-3-ylbutane-1,2-diamine?
2-N-hex-1-yn-3-ylbutane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hex-1-yn-3-ylbutane-1,2-diamine is sourced from PubChem (CID 106228269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).