N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine

C14H25N — CID 115755956

IUPACN-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)CC1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-14(5-2)15-12(3)11-13-9-6-7-10-13/h1,12-15H,5-11H2,2-3H3
InChIKeyXFBDSRJOLZOOFM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.35
Rot. Bonds6

About N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine

N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine (PubChem CID 115755956) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine.

Molecular Properties

Compound NameN-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
PubChem CID115755956
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)CC1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-14(5-2)15-12(3)11-13-9-6-7-10-13/h1,12-15H,5-11H2,2-3H3
InChIKeyXFBDSRJOLZOOFM-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
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-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
1-cyclohexyl-N-ethylpent-4-yn-2-amine
CID 114977293
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
1-cyclopentylpent-4-yn-2-ylhydrazine
CID 105281539
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
CID 113477136
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
CID 115723603

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine?
The IUPAC name of N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine (CID 115755956) is N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine.
What is the SMILES notation for N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine?
The canonical SMILES for N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine is C#CCC(CC)NC(C)CC1CCCC1.
What is the InChIKey of N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine?
The InChIKey is XFBDSRJOLZOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-8-14(5-2)15-12(3)11-13-9-6-7-10-13/h1,12-15H,5-11H2,2-3H3.
What are the key properties of N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine?
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine has a molecular weight of 207.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine is sourced from PubChem (CID 115755956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).