3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea

C11H23N3O — CID 79154068

IUPAC3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
SMILESCC1CCC(CN)(NC(=O)N(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9-4-6-11(8-12,7-5-9)13-10(15)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyYVJPOZNQOXHWCH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.17
Rot. Bonds2

About 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea

3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea (PubChem CID 79154068) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
PubChem CID79154068
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
SMILESCC1CCC(CN)(NC(=O)N(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9-4-6-11(8-12,7-5-9)13-10(15)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyYVJPOZNQOXHWCH-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
CID 79154067
propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
CID 63765786
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
CID 107941605
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
CID 103022522
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
CID 63765902
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-benzylurea
CID 107653310
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,4-dioxane-2-carboxamide
CID 63767249

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea (CID 79154068) is 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea is CC1CCC(CN)(NC(=O)N(C)C)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea?
The InChIKey is YVJPOZNQOXHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-4-6-11(8-12,7-5-9)13-10(15)14(2)3/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea?
3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea has a molecular weight of 213.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 79154068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).