1-cyano-N-(cyclohexylmethyl)-N-methylformamide

C10H16N2O — CID 115172422

IUPAC1-cyano-N-(cyclohexylmethyl)-N-methylformamide
SMILESCN(CC1CCCCC1)C(=O)C#N
InChIInChI=1S/C10H16N2O/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-6,8H2,1H3
InChIKeyMWKTVUCQHKUOLH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds2

About 1-cyano-N-(cyclohexylmethyl)-N-methylformamide

1-cyano-N-(cyclohexylmethyl)-N-methylformamide (PubChem CID 115172422) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyano-N-(cyclohexylmethyl)-N-methylformamide.

Molecular Properties

Compound Name1-cyano-N-(cyclohexylmethyl)-N-methylformamide
PubChem CID115172422
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-cyano-N-(cyclohexylmethyl)-N-methylformamide
SMILESCN(CC1CCCCC1)C(=O)C#N
InChIInChI=1S/C10H16N2O/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-6,8H2,1H3
InChIKeyMWKTVUCQHKUOLH-UHFFFAOYSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

cycloheptylmethyl(methyl)carbamic acid
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CID 112814425
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
1-(cyclobutylmethyl)-1-methylurea
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1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
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CID 60750592
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
3-amino-N-(cyclohexylmethyl)-N,2,2,3-tetramethylbutanamide
CID 65269620

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclohexylmethyl)-N-methylformamide?
The IUPAC name of 1-cyano-N-(cyclohexylmethyl)-N-methylformamide (CID 115172422) is 1-cyano-N-(cyclohexylmethyl)-N-methylformamide.
What is the SMILES notation for 1-cyano-N-(cyclohexylmethyl)-N-methylformamide?
The canonical SMILES for 1-cyano-N-(cyclohexylmethyl)-N-methylformamide is CN(CC1CCCCC1)C(=O)C#N.
What is the InChIKey of 1-cyano-N-(cyclohexylmethyl)-N-methylformamide?
The InChIKey is MWKTVUCQHKUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-6,8H2,1H3.
What are the key properties of 1-cyano-N-(cyclohexylmethyl)-N-methylformamide?
1-cyano-N-(cyclohexylmethyl)-N-methylformamide has a molecular weight of 180.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclohexylmethyl)-N-methylformamide is sourced from PubChem (CID 115172422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).