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

C16H28N2O — CID 115308576

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
SMILESCC1CCCCC1(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C16H28N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h8,13H,2-7,9-12,17H2,1H3,(H,18,19)
InChIKeyBJZMTVRZIPBHIF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds4

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 115308576) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
PubChem CID115308576
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
SMILESCC1CCCCC1(CN)NC(=O)CC1=CCCCC1
InChIInChI=1S/C16H28N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h8,13H,2-7,9-12,17H2,1H3,(H,18,19)
InChIKeyBJZMTVRZIPBHIF-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
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-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide (CID 115308576) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide is CC1CCCCC1(CN)NC(=O)CC1=CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is BJZMTVRZIPBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h8,13H,2-7,9-12,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 115308576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).