1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea

C15H31N3O — CID 165484833

IUPAC1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-10-17-13(19)18-11-15(16)8-6-12(7-9-15)14(2,3)4/h12H,5-11,16H2,1-4H3,(H2,17,18,19)
InChIKeyZBJFGSOSJQIYFE-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.63
Rot. Bonds4

About 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea

1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea (PubChem CID 165484833) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea
PubChem CID165484833
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-10-17-13(19)18-11-15(16)8-6-12(7-9-15)14(2,3)4/h12H,5-11,16H2,1-4H3,(H2,17,18,19)
InChIKeyZBJFGSOSJQIYFE-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea 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-[(1-amino-4-ethylcyclohexyl)methyl]-3-propylurea
CID 165484829
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
4-tert-butyl-1-ethylcyclohexan-1-amine
CID 43809409
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
1-(4-amino-1-methylcyclohexyl)-3-propylurea
CID 165468938
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
ethyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66190432

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea?
The IUPAC name of 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea (CID 165484833) is 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea is CCCNC(=O)NCC1(N)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea?
The InChIKey is ZBJFGSOSJQIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-10-17-13(19)18-11-15(16)8-6-12(7-9-15)14(2,3)4/h12H,5-11,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea?
1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea has a molecular weight of 269.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea is sourced from PubChem (CID 165484833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).