1-(4-aminocyclohexyl)-3-benzyl-1-methylurea

C15H23N3O — CID 107652884

IUPAC1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-18(14-9-7-13(16)8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyBDRQRNRIYUDHCZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea

1-(4-aminocyclohexyl)-3-benzyl-1-methylurea (PubChem CID 107652884) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
PubChem CID107652884
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-18(14-9-7-13(16)8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyBDRQRNRIYUDHCZ-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103717227
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
3-benzyl-1-[1-[1-(cyclobuten-1-yl)-2-phenylethyl]piperidin-4-yl]-1-methylurea
CID 56985677
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
CID 107653524

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea?
The IUPAC name of 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea (CID 107652884) is 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea is CN(C(=O)NCc1ccccc1)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea?
The InChIKey is BDRQRNRIYUDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(14-9-7-13(16)8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea?
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea has a molecular weight of 261.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-benzyl-1-methylurea is sourced from PubChem (CID 107652884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).