3-(2-methylcyclopropyl)butan-1-amine

C8H17N — CID 90983194

IUPAC3-(2-methylcyclopropyl)butan-1-amine
SMILESCC(CCN)C1CC1C
InChIInChI=1S/C8H17N/c1-6(3-4-9)8-5-7(8)2/h6-8H,3-5,9H2,1-2H3
InChIKeyCJFYPVOUQOTVJR-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.63
Rot. Bonds3

About 3-(2-methylcyclopropyl)butan-1-amine

3-(2-methylcyclopropyl)butan-1-amine (PubChem CID 90983194) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)butan-1-amine
PubChem CID90983194
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-(2-methylcyclopropyl)butan-1-amine
SMILESCC(CCN)C1CC1C
InChIInChI=1S/C8H17N/c1-6(3-4-9)8-5-7(8)2/h6-8H,3-5,9H2,1-2H3
InChIKeyCJFYPVOUQOTVJR-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)butan-1-amine?
The IUPAC name of 3-(2-methylcyclopropyl)butan-1-amine (CID 90983194) is 3-(2-methylcyclopropyl)butan-1-amine.
What is the SMILES notation for 3-(2-methylcyclopropyl)butan-1-amine?
The canonical SMILES for 3-(2-methylcyclopropyl)butan-1-amine is CC(CCN)C1CC1C.
What is the InChIKey of 3-(2-methylcyclopropyl)butan-1-amine?
The InChIKey is CJFYPVOUQOTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(3-4-9)8-5-7(8)2/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 3-(2-methylcyclopropyl)butan-1-amine?
3-(2-methylcyclopropyl)butan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)butan-1-amine is sourced from PubChem (CID 90983194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).