[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine

C17H28N2 — CID 116943405

IUPAC[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)C1(CN)CC1
InChIInChI=1S/C17H28N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)15(19)17(10-18)6-7-17/h8-9,15H,6-7,10,18-19H2,1-5H3
InChIKeyYUIBCFFGIKTOEP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.34
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine (PubChem CID 116943405) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
PubChem CID116943405
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)C1(CN)CC1
InChIInChI=1S/C17H28N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)15(19)17(10-18)6-7-17/h8-9,15H,6-7,10,18-19H2,1-5H3
InChIKeyYUIBCFFGIKTOEP-UHFFFAOYSA-N
XLogP3.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116943909
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
CID 116943916
[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
CID 116943957
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol
CID 79123649
(1-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanamine
CID 82282690
3-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propane-1-thiol
CID 116831260
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine (CID 116943405) is [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine is Cc1cc(C(C)(C)C)cc(C)c1C(N)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine?
The InChIKey is YUIBCFFGIKTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)15(19)17(10-18)6-7-17/h8-9,15H,6-7,10,18-19H2,1-5H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 116943405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).