4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide

C17H30N2O — CID 79211493

IUPAC4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C17H30N2O/c1-4-17(2,3)13-6-9-15(10-7-13)19-16(20)12-5-8-14(18)11-12/h5,8,12-15H,4,6-7,9-11,18H2,1-3H3,(H,19,20)
InChIKeyNJPAAYXCRYUQDU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79211493) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide
PubChem CID79211493
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C17H30N2O/c1-4-17(2,3)13-6-9-15(10-7-13)19-16(20)12-5-8-14(18)11-12/h5,8,12-15H,4,6-7,9-11,18H2,1-3H3,(H,19,20)
InChIKeyNJPAAYXCRYUQDU-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide (CID 79211493) is 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is NJPAAYXCRYUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-17(2,3)13-6-9-15(10-7-13)19-16(20)12-5-8-14(18)11-12/h5,8,12-15H,4,6-7,9-11,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-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-[4-(2-methylbutan-2-yl)cyclohexyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).