N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide

C16H30N2O2 — CID 107180766

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-2-5-15(12)16(19)18-10-3-11-20-14-8-6-13(17)7-9-14/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyMAUVQQOOTBRWLU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107180766) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107180766
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-2-5-15(12)16(19)18-10-3-11-20-14-8-6-13(17)7-9-14/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyMAUVQQOOTBRWLU-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide (CID 107180766) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is MAUVQQOOTBRWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-4-2-5-15(12)16(19)18-10-3-11-20-14-8-6-13(17)7-9-14/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).