1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea

C14H29N3O — CID 79153396

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea
SMILESCCCN(C(=O)N(C)C)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-9-17(13(18)16(3)4)14(11-15)8-6-7-12(2)10-14/h12H,5-11,15H2,1-4H3
InChIKeyDJWHZDSVLXUCNF-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.29
Rot. Bonds4

About 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea

1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea (PubChem CID 79153396) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea
PubChem CID79153396
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea
SMILESCCCN(C(=O)N(C)C)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-9-17(13(18)16(3)4)14(11-15)8-6-7-12(2)10-14/h12H,5-11,15H2,1-4H3
InChIKeyDJWHZDSVLXUCNF-UHFFFAOYSA-N
XLogP2.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropyl-N-methylacetamide
CID 62007123
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methyl-N-propylbutane-1-sulfonamide
CID 63832978
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea (CID 79153396) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea is CCCN(C(=O)N(C)C)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea?
The InChIKey is DJWHZDSVLXUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-9-17(13(18)16(3)4)14(11-15)8-6-7-12(2)10-14/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea?
1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea has a molecular weight of 255.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea is sourced from PubChem (CID 79153396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).