N-hex-5-yn-3-ylheptan-3-amine

C13H25N — CID 115723674

IUPACN-hex-5-yn-3-ylheptan-3-amine
SMILESC#CCC(CC)NC(CC)CCCC
InChIInChI=1S/C13H25N/c1-5-9-11-13(8-4)14-12(7-3)10-6-2/h2,12-14H,5,7-11H2,1,3-4H3
InChIKeyVMVWUTTWVWKZQP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds8

About N-hex-5-yn-3-ylheptan-3-amine

N-hex-5-yn-3-ylheptan-3-amine (PubChem CID 115723674) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hex-5-yn-3-ylheptan-3-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-ylheptan-3-amine
PubChem CID115723674
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hex-5-yn-3-ylheptan-3-amine
SMILESC#CCC(CC)NC(CC)CCCC
InChIInChI=1S/C13H25N/c1-5-9-11-13(8-4)14-12(7-3)10-6-2/h2,12-14H,5,7-11H2,1,3-4H3
InChIKeyVMVWUTTWVWKZQP-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-1-yn-3-ylheptan-3-amine
CID 106224922
3-(octan-4-ylamino)pentanenitrile
CID 104720823
N-nonan-5-ylnonan-5-amine
CID 86205180
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
N-propyldodec-1-yn-4-amine
CID 114977040
N-hex-5-ynylheptan-3-amine
CID 103903630
N-ethylhex-5-yn-3-amine
CID 62233887
5-ethyl-N-methylnon-1-yn-4-amine
CID 114977340
(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
CID 95256865
N-pentan-3-ylhexan-3-amine
CID 62118915
tert-butyl N-[4-(hex-5-yn-3-ylamino)-5-methoxypentyl]carbamate
CID 103390984
N-[1-(3,5-dimethylphenyl)ethyl]hex-5-yn-3-amine
CID 115723530

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-ylheptan-3-amine?
The IUPAC name of N-hex-5-yn-3-ylheptan-3-amine (CID 115723674) is N-hex-5-yn-3-ylheptan-3-amine.
What is the SMILES notation for N-hex-5-yn-3-ylheptan-3-amine?
The canonical SMILES for N-hex-5-yn-3-ylheptan-3-amine is C#CCC(CC)NC(CC)CCCC.
What is the InChIKey of N-hex-5-yn-3-ylheptan-3-amine?
The InChIKey is VMVWUTTWVWKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-9-11-13(8-4)14-12(7-3)10-6-2/h2,12-14H,5,7-11H2,1,3-4H3.
What are the key properties of N-hex-5-yn-3-ylheptan-3-amine?
N-hex-5-yn-3-ylheptan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-ylheptan-3-amine is sourced from PubChem (CID 115723674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).