3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine

C10H17N — CID 103560670

IUPAC3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(C(C)C)C1
InChIInChI=1S/C10H17N/c1-4-5-11-10-6-9(7-10)8(2)3/h1,8-11H,5-7H2,2-3H3
InChIKeyPGYLXCAKGWPNQW-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.64
Rot. Bonds3

About 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine

3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 103560670) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
PubChem CID103560670
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(C(C)C)C1
InChIInChI=1S/C10H17N/c1-4-5-11-10-6-9(7-10)8(2)3/h1,8-11H,5-7H2,2-3H3
InChIKeyPGYLXCAKGWPNQW-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.64
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

2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile
CID 167184643
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
2-N,2-N-dimethyl-1-N-(3-propan-2-ylcyclobutyl)propane-1,2-diamine
CID 103561743
3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
CID 89126967
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
1-ethynyl-3-propan-2-ylcyclobutane
CID 176753100
N-prop-2-ynylthietan-3-amine;hydrochloride
CID 122164045
N-prop-2-ynylcyclohexanamine;hydrobromide
CID 3051295
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine (CID 103560670) is 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is PGYLXCAKGWPNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-11-10-6-9(7-10)8(2)3/h1,8-11H,5-7H2,2-3H3.
What are the key properties of 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine?
3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 103560670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).