1-cyclopentyl-N-prop-2-ynylpropan-2-amine

C11H19N — CID 115755854

IUPAC1-cyclopentyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)CC1CCCC1
InChIInChI=1S/C11H19N/c1-3-8-12-10(2)9-11-6-4-5-7-11/h1,10-12H,4-9H2,2H3
InChIKeyGBLLPDUXLIWONV-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.18
Rot. Bonds4

About 1-cyclopentyl-N-prop-2-ynylpropan-2-amine

1-cyclopentyl-N-prop-2-ynylpropan-2-amine (PubChem CID 115755854) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclopentyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-prop-2-ynylpropan-2-amine
PubChem CID115755854
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclopentyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)CC1CCCC1
InChIInChI=1S/C11H19N/c1-3-8-12-10(2)9-11-6-4-5-7-11/h1,10-12H,4-9H2,2H3
InChIKeyGBLLPDUXLIWONV-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.18
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)but-2-yn-1-amine
CID 115896850
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
1-cyclohexyl-N-ethylpent-4-yn-2-amine
CID 114977293
3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 115894985
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-N-prop-2-ynylpropan-2-amine (CID 115755854) is 1-cyclopentyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-prop-2-ynylpropan-2-amine is C#CCNC(C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is GBLLPDUXLIWONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-8-12-10(2)9-11-6-4-5-7-11/h1,10-12H,4-9H2,2H3.
What are the key properties of 1-cyclopentyl-N-prop-2-ynylpropan-2-amine?
1-cyclopentyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 115755854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).