methanamine;2,4,4-trimethylcyclopentan-1-amine

C9H22N2 — CID 70129177

IUPACmethanamine;2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N.CN
InChIInChI=1S/C8H17N.CH5N/c1-6-4-8(2,3)5-7(6)9;1-2/h6-7H,4-5,9H2,1-3H3;2H2,1H3
InChIKeyMFTJFTBQQWJHQP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.34
Rot. Bonds

About methanamine;2,4,4-trimethylcyclopentan-1-amine

methanamine;2,4,4-trimethylcyclopentan-1-amine (PubChem CID 70129177) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is methanamine;2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Namemethanamine;2,4,4-trimethylcyclopentan-1-amine
PubChem CID70129177
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Namemethanamine;2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N.CN
InChIInChI=1S/C8H17N.CH5N/c1-6-4-8(2,3)5-7(6)9;1-2/h6-7H,4-5,9H2,1-3H3;2H2,1H3
InChIKeyMFTJFTBQQWJHQP-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methanamine;2,4,4-trimethylcyclopentan-1-amine 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 methanamine;2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of methanamine;2,4,4-trimethylcyclopentan-1-amine (CID 70129177) is methanamine;2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for methanamine;2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for methanamine;2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1N.CN.
What is the InChIKey of methanamine;2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is MFTJFTBQQWJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CH5N/c1-6-4-8(2,3)5-7(6)9;1-2/h6-7H,4-5,9H2,1-3H3;2H2,1H3.
What are the key properties of methanamine;2,4,4-trimethylcyclopentan-1-amine?
methanamine;2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 158.29 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 70129177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).