N-hex-5-ynyl-N,2-dimethylpentan-2-amine

C13H25N — CID 167034681

IUPACN-hex-5-ynyl-N,2-dimethylpentan-2-amine
SMILESC#CCCCCN(C)C(C)(C)CCC
InChIInChI=1S/C13H25N/c1-6-8-9-10-12-14(5)13(3,4)11-7-2/h1H,7-12H2,2-5H3
InChIKeyJFMQOSSVLKOEGQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds7

About N-hex-5-ynyl-N,2-dimethylpentan-2-amine

N-hex-5-ynyl-N,2-dimethylpentan-2-amine (PubChem CID 167034681) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hex-5-ynyl-N,2-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-N,2-dimethylpentan-2-amine
PubChem CID167034681
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hex-5-ynyl-N,2-dimethylpentan-2-amine
SMILESC#CCCCCN(C)C(C)(C)CCC
InChIInChI=1S/C13H25N/c1-6-8-9-10-12-14(5)13(3,4)11-7-2/h1H,7-12H2,2-5H3
InChIKeyJFMQOSSVLKOEGQ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
4-propyldec-9-yn-4-amine
CID 57062818
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
oct-1-yne
CID 19597608
9,9-dimethyldec-1-yne
CID 169300385
CID 172706336
CID 172706336
N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
CID 142817850
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
CID 136574841
2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine
CID 166856745
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-N,2-dimethylpentan-2-amine?
The IUPAC name of N-hex-5-ynyl-N,2-dimethylpentan-2-amine (CID 167034681) is N-hex-5-ynyl-N,2-dimethylpentan-2-amine.
What is the SMILES notation for N-hex-5-ynyl-N,2-dimethylpentan-2-amine?
The canonical SMILES for N-hex-5-ynyl-N,2-dimethylpentan-2-amine is C#CCCCCN(C)C(C)(C)CCC.
What is the InChIKey of N-hex-5-ynyl-N,2-dimethylpentan-2-amine?
The InChIKey is JFMQOSSVLKOEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-8-9-10-12-14(5)13(3,4)11-7-2/h1H,7-12H2,2-5H3.
What are the key properties of N-hex-5-ynyl-N,2-dimethylpentan-2-amine?
N-hex-5-ynyl-N,2-dimethylpentan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-N,2-dimethylpentan-2-amine is sourced from PubChem (CID 167034681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).