N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine

C11H19N — CID 115896850

IUPACN-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
SMILESCC#CCNC(C)CC1CCC1
InChIInChI=1S/C11H19N/c1-3-4-8-12-10(2)9-11-6-5-7-11/h10-12H,5-9H2,1-2H3
InChIKeyYWUSIJKUUBSQQX-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.18
Rot. Bonds4

About N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine

N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine (PubChem CID 115896850) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
PubChem CID115896850
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
SMILESCC#CCNC(C)CC1CCC1
InChIInChI=1S/C11H19N/c1-3-4-8-12-10(2)9-11-6-5-7-11/h10-12H,5-9H2,1-2H3
InChIKeyYWUSIJKUUBSQQX-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

1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
3-(1-cyclobutylpropan-2-ylamino)-1,1-difluoropropan-2-ol
CID 103787931
CID 163832582
CID 163832582
1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 103902079
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
1-cyclobutylhex-4-yn-2-ol
CID 103169912
N-(1-cyclobutylpropan-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115726252
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine (CID 115896850) is N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine is CC#CCNC(C)CC1CCC1.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine?
The InChIKey is YWUSIJKUUBSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-8-12-10(2)9-11-6-5-7-11/h10-12H,5-9H2,1-2H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine?
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-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 N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine is sourced from PubChem (CID 115896850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).