N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide

C13H24N2O — CID 63888954

IUPACN-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-3-13(4-2,10-14)15-12(16)11-8-6-5-7-9-11/h5-6,11H,3-4,7-10,14H2,1-2H3,(H,15,16)
InChIKeyQMQZYZDUEYKTBC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.98
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide

N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 63888954) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
PubChem CID63888954
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-3-13(4-2,10-14)15-12(16)11-8-6-5-7-9-11/h5-6,11H,3-4,7-10,14H2,1-2H3,(H,15,16)
InChIKeyQMQZYZDUEYKTBC-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide (CID 63888954) is N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide is CCC(CC)(CN)NC(=O)C1CC=CCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QMQZYZDUEYKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-13(4-2,10-14)15-12(16)11-8-6-5-7-9-11/h5-6,11H,3-4,7-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 63888954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).