N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide

C14H26N2O — CID 63886786

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h8H,3-7,9-11,15H2,1-2H3,(H,16,17)
InChIKeyCXBIDMJRFQZJFX-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.51
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 63886786) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
PubChem CID63886786
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h8H,3-7,9-11,15H2,1-2H3,(H,16,17)
InChIKeyCXBIDMJRFQZJFX-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114601
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
CID 65193722
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 115308576
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide (CID 63886786) is N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide is CCC(CC)(CN)NC(=O)CC1=CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is CXBIDMJRFQZJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(4-2,11-15)16-13(17)10-12-8-6-5-7-9-12/h8H,3-7,9-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 238.37 g/mol, XLogP of 2.51, 6 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]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 63886786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).