2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide

C13H25N3O2 — CID 103809539

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCCC1N)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(15)18)8-16-11(17)9-6-4-3-5-7-10(9)14/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyPJCODKZXBJRJQN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide (PubChem CID 103809539) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
PubChem CID103809539
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCCC1N)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(15)18)8-16-11(17)9-6-4-3-5-7-10(9)14/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyPJCODKZXBJRJQN-UHFFFAOYSA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113266935
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CID 106280298
2-amino-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66186728
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712
2-amino-N-(2-methyl-2-phenylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119724297
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 106188227
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
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CID 119692657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide (CID 103809539) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide is CC(C)(CNC(=O)C1CCCCCC1N)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide?
The InChIKey is PJCODKZXBJRJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,12(15)18)8-16-11(17)9-6-4-3-5-7-10(9)14/h9-10H,3-8,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 103809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).