2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide

C13H26N2O2 — CID 113266935

IUPAC2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CCCCCC1N
InChIInChI=1S/C13H26N2O2/c1-13(2,17-3)9-15-12(16)10-7-5-4-6-8-11(10)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPCAVPLPPOQLCMY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide

2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide (PubChem CID 113266935) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
PubChem CID113266935
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CCCCCC1N
InChIInChI=1S/C13H26N2O2/c1-13(2,17-3)9-15-12(16)10-7-5-4-6-8-11(10)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPCAVPLPPOQLCMY-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
CID 103809539
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66186728
N-(2-methoxy-2-methylpropyl)-2-methylpiperidine-3-carboxamide
CID 104761997
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
2-[(2-methoxy-2-methylpropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391338
2-amino-N-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 63247870
methyl 2-[2-[[(1S,2S)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632048

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide (CID 113266935) is 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide is COC(C)(C)CNC(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide?
The InChIKey is PCAVPLPPOQLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,17-3)9-15-12(16)10-7-5-4-6-8-11(10)14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide?
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 113266935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).