N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine

C14H29N — CID 63506241

IUPACN-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyOFNZNYOMPLITET-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine (PubChem CID 63506241) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
PubChem CID63506241
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyOFNZNYOMPLITET-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-tert-butylcyclohexyl)methyl]propan-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

Related Compounds

N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
CID 65014740
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine (CID 63506241) is N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine is CCCNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine?
The InChIKey is OFNZNYOMPLITET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).