N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide

C14H28N2O — CID 63755259

IUPACN-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
SMILESCC(C)CC(CN)NC(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)9-13(10-15)16-14(17)12-7-5-3-4-6-8-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyRTLIYNNRJHNNFW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide

N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide (PubChem CID 63755259) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
PubChem CID63755259
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
SMILESCC(C)CC(CN)NC(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)9-13(10-15)16-14(17)12-7-5-3-4-6-8-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyRTLIYNNRJHNNFW-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119586427
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
CID 107180769
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide (CID 63755259) is N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide is CC(C)CC(CN)NC(=O)C1CCCCCC1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide?
The InChIKey is RTLIYNNRJHNNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)9-13(10-15)16-14(17)12-7-5-3-4-6-8-12/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide?
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide is sourced from PubChem (CID 63755259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).