2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine

C16H32N2 — CID 106227984

IUPAC2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine
SMILESC#CC(CCC)NC(C)(CN)CCCCCCC
InChIInChI=1S/C16H32N2/c1-5-8-9-10-11-13-16(4,14-17)18-15(7-3)12-6-2/h3,15,18H,5-6,8-14,17H2,1-2,4H3
InChIKeyBUCKNMMVYJYOAD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.46
Rot. Bonds11

About 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine

2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine (PubChem CID 106227984) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine
PubChem CID106227984
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine
SMILESC#CC(CCC)NC(C)(CN)CCCCCCC
InChIInChI=1S/C16H32N2/c1-5-8-9-10-11-13-16(4,14-17)18-15(7-3)12-6-2/h3,15,18H,5-6,8-14,17H2,1-2,4H3
InChIKeyBUCKNMMVYJYOAD-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
3-(2-fluorophenyl)-2-N-hex-1-yn-3-yl-2-methylpropane-1,2-diamine
CID 106228166
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091
8-methylpentadecan-8-ylhydrazine
CID 130446175
6-methyltridecan-6-ylhydrazine
CID 139378233
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
CID 134402382
2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 62539904
2,2-dimethyloctan-1-amine
CID 62739423
2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
CID 116643472
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269

Frequently Asked Questions

What is the IUPAC name of 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine?
The IUPAC name of 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine (CID 106227984) is 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine.
What is the SMILES notation for 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine?
The canonical SMILES for 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine is C#CC(CCC)NC(C)(CN)CCCCCCC.
What is the InChIKey of 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine?
The InChIKey is BUCKNMMVYJYOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-8-9-10-11-13-16(4,14-17)18-15(7-3)12-6-2/h3,15,18H,5-6,8-14,17H2,1-2,4H3.
What are the key properties of 2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine?
2-N-hex-1-yn-3-yl-2-methylnonane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.46, 11 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-yl-2-methylnonane-1,2-diamine is sourced from PubChem (CID 106227984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).