(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine

C12H23N5 — CID 99792086

IUPAC(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCC(C)n1nnnc1CN[C@H]1CCCC1(C)C
InChIInChI=1S/C12H23N5/c1-9(2)17-11(14-15-16-17)8-13-10-6-5-7-12(10,3)4/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyZHIPOFQCTBDQSF-JTQLQIEISA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds4

About (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine

(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 99792086) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID99792086
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCC(C)n1nnnc1CN[C@H]1CCCC1(C)C
InChIInChI=1S/C12H23N5/c1-9(2)17-11(14-15-16-17)8-13-10-6-5-7-12(10,3)4/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyZHIPOFQCTBDQSF-JTQLQIEISA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-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 (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine (CID 99792086) is (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine is CC(C)n1nnnc1CN[C@H]1CCCC1(C)C.
What is the InChIKey of (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is ZHIPOFQCTBDQSF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)17-11(14-15-16-17)8-13-10-6-5-7-12(10,3)4/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine?
(1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 99792086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).