4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide

C17H30N2O — CID 106175418

IUPAC4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCC2=CCCC2)C1(C)C
InChIInChI=1S/C17H30N2O/c1-12-15(18)9-8-14(17(12,2)3)16(20)19-11-10-13-6-4-5-7-13/h6,12,14-15H,4-5,7-11,18H2,1-3H3,(H,19,20)
InChIKeyUNDREAGGEOFZTC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 106175418) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID106175418
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCC2=CCCC2)C1(C)C
InChIInChI=1S/C17H30N2O/c1-12-15(18)9-8-14(17(12,2)3)16(20)19-11-10-13-6-4-5-7-13/h6,12,14-15H,4-5,7-11,18H2,1-3H3,(H,19,20)
InChIKeyUNDREAGGEOFZTC-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
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

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106047850
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 64550463
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 103842213

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide (CID 106175418) is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCCC2=CCCC2)C1(C)C.
What is the InChIKey of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is UNDREAGGEOFZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-15(18)9-8-14(17(12,2)3)16(20)19-11-10-13-6-4-5-7-13/h6,12,14-15H,4-5,7-11,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106175418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).