(1-tert-butylcyclopropyl)methanamine

C8H17N — CID 54379094

IUPAC(1-tert-butylcyclopropyl)methanamine
SMILESCC(C)(C)C1(CN)CC1
InChIInChI=1S/C8H17N/c1-7(2,3)8(6-9)4-5-8/h4-6,9H2,1-3H3
InChIKeyUYRGSLFAWFWERH-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds1

About (1-tert-butylcyclopropyl)methanamine

(1-tert-butylcyclopropyl)methanamine (PubChem CID 54379094) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (1-tert-butylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-tert-butylcyclopropyl)methanamine
PubChem CID54379094
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(1-tert-butylcyclopropyl)methanamine
SMILESCC(C)(C)C1(CN)CC1
InChIInChI=1S/C8H17N/c1-7(2,3)8(6-9)4-5-8/h4-6,9H2,1-3H3
InChIKeyUYRGSLFAWFWERH-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-tert-butylcyclopropyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopropyl)methanamine?
The IUPAC name of (1-tert-butylcyclopropyl)methanamine (CID 54379094) is (1-tert-butylcyclopropyl)methanamine.
What is the SMILES notation for (1-tert-butylcyclopropyl)methanamine?
The canonical SMILES for (1-tert-butylcyclopropyl)methanamine is CC(C)(C)C1(CN)CC1.
What is the InChIKey of (1-tert-butylcyclopropyl)methanamine?
The InChIKey is UYRGSLFAWFWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2,3)8(6-9)4-5-8/h4-6,9H2,1-3H3.
What are the key properties of (1-tert-butylcyclopropyl)methanamine?
(1-tert-butylcyclopropyl)methanamine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclopropyl)methanamine is sourced from PubChem (CID 54379094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).