N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

C14H28N2O — CID 107184708

IUPACN-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(N)CC(C)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-10(15)9-11(2)16-13(17)12-7-5-6-8-14(12,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyMTSVZBJHVYADGN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds4

About N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107184708) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107184708
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(N)CC(C)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-10(15)9-11(2)16-13(17)12-7-5-6-8-14(12,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyMTSVZBJHVYADGN-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107184708) is N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is CC(N)CC(C)NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is MTSVZBJHVYADGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(15)9-11(2)16-13(17)12-7-5-6-8-14(12,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107184708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).