N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide

C15H28N2O — CID 114240294

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide
SMILESCC(C)C1(CNC(=O)C2CCCCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)15(8-9-15)11-17-14(18)13-7-5-3-4-6-10-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyCNDBWRNTHSTXRR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds4

About N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide

N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide (PubChem CID 114240294) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide
PubChem CID114240294
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide
SMILESCC(C)C1(CNC(=O)C2CCCCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)15(8-9-15)11-17-14(18)13-7-5-3-4-6-10-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyCNDBWRNTHSTXRR-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119782231
1-[(azepane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442641
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119325049
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide (CID 114240294) is N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide is CC(C)C1(CNC(=O)C2CCCCCCN2)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide?
The InChIKey is CNDBWRNTHSTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)15(8-9-15)11-17-14(18)13-7-5-3-4-6-10-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide?
N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide is sourced from PubChem (CID 114240294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).