N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide

C13H24N2O — CID 64562282

IUPACN-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
SMILESC=CCN(C(=O)C1CCCCCN1)C(C)C
InChIInChI=1S/C13H24N2O/c1-4-10-15(11(2)3)13(16)12-8-6-5-7-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyXHYBHOXVIHPPAF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds4

About N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide

N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide (PubChem CID 64562282) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
PubChem CID64562282
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
SMILESC=CCN(C(=O)C1CCCCCN1)C(C)C
InChIInChI=1S/C13H24N2O/c1-4-10-15(11(2)3)13(16)12-8-6-5-7-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyXHYBHOXVIHPPAF-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 53410651
(2R)-N-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93173809
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 114276198
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978411
N-methyl-N-(3-methylbutan-2-yl)azepane-2-carboxamide
CID 64562225
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54870149
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide (CID 64562282) is N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide is C=CCN(C(=O)C1CCCCCN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide?
The InChIKey is XHYBHOXVIHPPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-10-15(11(2)3)13(16)12-8-6-5-7-9-14-12/h4,11-12,14H,1,5-10H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide?
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide is sourced from PubChem (CID 64562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).