2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide

C13H27N3O — CID 82937442

IUPAC2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1CCCCCC1N
InChIInChI=1S/C13H27N3O/c1-10(9-16(2)3)15-13(17)11-7-5-4-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyRMSNPAXKPINXTK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide

2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide (PubChem CID 82937442) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
PubChem CID82937442
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1CCCCCC1N
InChIInChI=1S/C13H27N3O/c1-10(9-16(2)3)15-13(17)11-7-5-4-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyRMSNPAXKPINXTK-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103979109
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
2-amino-N-(1-cyanopropan-2-yl)cyclopentane-1-carboxamide
CID 64824063
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
CID 64822467
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
2-amino-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 83021936

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide (CID 82937442) is 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide is CC(CN(C)C)NC(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The InChIKey is RMSNPAXKPINXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(9-16(2)3)15-13(17)11-7-5-4-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide is sourced from PubChem (CID 82937442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).