4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 114137006

IUPAC4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-4-3-9-16-14(17)12-5-7-13(15)8-6-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyOIRXNZBASDCICT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds7

About 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide

4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide (PubChem CID 114137006) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
PubChem CID114137006
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-4-3-9-16-14(17)12-5-7-13(15)8-6-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyOIRXNZBASDCICT-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
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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Related Compounds

4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
CID 114137040
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide (CID 114137006) is 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide is CC(C)OCCCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The InChIKey is OIRXNZBASDCICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)18-10-4-3-9-16-14(17)12-5-7-13(15)8-6-12/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114137006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).