cycloheptylmethyl(methyl)carbamic acid

C10H19NO2 — CID 146255648

IUPACcycloheptylmethyl(methyl)carbamic acid
SMILESCN(CC1CCCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-11(10(12)13)8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOFCCITNELRIHOP-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.57
Rot. Bonds2

About cycloheptylmethyl(methyl)carbamic acid

cycloheptylmethyl(methyl)carbamic acid (PubChem CID 146255648) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cycloheptylmethyl(methyl)carbamic acid.

Molecular Properties

Compound Namecycloheptylmethyl(methyl)carbamic acid
PubChem CID146255648
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecycloheptylmethyl(methyl)carbamic acid
SMILESCN(CC1CCCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-11(10(12)13)8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyOFCCITNELRIHOP-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
1-cyano-N-(cyclohexylmethyl)-N-methylformamide
CID 115172422
[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
CID 22310808
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
1-(cyclobutylmethyl)-1-methylurea
CID 62860439

Frequently Asked Questions

What is the IUPAC name of cycloheptylmethyl(methyl)carbamic acid?
The IUPAC name of cycloheptylmethyl(methyl)carbamic acid (CID 146255648) is cycloheptylmethyl(methyl)carbamic acid.
What is the SMILES notation for cycloheptylmethyl(methyl)carbamic acid?
The canonical SMILES for cycloheptylmethyl(methyl)carbamic acid is CN(CC1CCCCCC1)C(=O)O.
What is the InChIKey of cycloheptylmethyl(methyl)carbamic acid?
The InChIKey is OFCCITNELRIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(10(12)13)8-9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of cycloheptylmethyl(methyl)carbamic acid?
cycloheptylmethyl(methyl)carbamic acid has a molecular weight of 185.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl(methyl)carbamic acid is sourced from PubChem (CID 146255648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).