1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide

C14H22N2O — CID 60783158

IUPAC1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H22N2O/c1-11(2)16(9-12-5-6-12)13(17)14(10-15)7-3-4-8-14/h11-12H,3-9H2,1-2H3
InChIKeyOHPYELAJNBXVSD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.72
Rot. Bonds4

About 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide

1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 60783158) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID60783158
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H22N2O/c1-11(2)16(9-12-5-6-12)13(17)14(10-15)7-3-4-8-14/h11-12H,3-9H2,1-2H3
InChIKeyOHPYELAJNBXVSD-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide (CID 60783158) is 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide is CC(C)N(CC1CC1)C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is OHPYELAJNBXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16(9-12-5-6-12)13(17)14(10-15)7-3-4-8-14/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 60783158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).