N-(1-cyclobutylethenyl)propan-2-amine

C9H17N — CID 131998082

IUPACN-(1-cyclobutylethenyl)propan-2-amine
SMILESC=C(NC(C)C)C1CCC1
InChIInChI=1S/C9H17N/c1-7(2)10-8(3)9-5-4-6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyMMNIEXQZAHHYEG-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds3

About N-(1-cyclobutylethenyl)propan-2-amine

N-(1-cyclobutylethenyl)propan-2-amine (PubChem CID 131998082) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(1-cyclobutylethenyl)propan-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethenyl)propan-2-amine
PubChem CID131998082
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(1-cyclobutylethenyl)propan-2-amine
SMILESC=C(NC(C)C)C1CCC1
InChIInChI=1S/C9H17N/c1-7(2)10-8(3)9-5-4-6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyMMNIEXQZAHHYEG-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethenyl)propan-2-amine?
The IUPAC name of N-(1-cyclobutylethenyl)propan-2-amine (CID 131998082) is N-(1-cyclobutylethenyl)propan-2-amine.
What is the SMILES notation for N-(1-cyclobutylethenyl)propan-2-amine?
The canonical SMILES for N-(1-cyclobutylethenyl)propan-2-amine is C=C(NC(C)C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethenyl)propan-2-amine?
The InChIKey is MMNIEXQZAHHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)10-8(3)9-5-4-6-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of N-(1-cyclobutylethenyl)propan-2-amine?
N-(1-cyclobutylethenyl)propan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethenyl)propan-2-amine is sourced from PubChem (CID 131998082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).