1-amino-4,4-dimethylcycloheptane-1-carboxamide

C10H20N2O — CID 65088095

IUPAC1-amino-4,4-dimethylcycloheptane-1-carboxamide
SMILESCC1(C)CCCC(N)(C(N)=O)CC1
InChIInChI=1S/C10H20N2O/c1-9(2)4-3-5-10(12,7-6-9)8(11)13/h3-7,12H2,1-2H3,(H2,11,13)
InChIKeyHMPLHELLKLMUKJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.16
Rot. Bonds1

About 1-amino-4,4-dimethylcycloheptane-1-carboxamide

1-amino-4,4-dimethylcycloheptane-1-carboxamide (PubChem CID 65088095) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-amino-4,4-dimethylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-amino-4,4-dimethylcycloheptane-1-carboxamide
PubChem CID65088095
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-amino-4,4-dimethylcycloheptane-1-carboxamide
SMILESCC1(C)CCCC(N)(C(N)=O)CC1
InChIInChI=1S/C10H20N2O/c1-9(2)4-3-5-10(12,7-6-9)8(11)13/h3-7,12H2,1-2H3,(H2,11,13)
InChIKeyHMPLHELLKLMUKJ-UHFFFAOYSA-N
XLogP1.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-aminocyclopentane-1-carboxamide;ethane
CID 176999310
1-aminocyclopentane-1-carboxamide
CID 139066563
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-(ethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088045
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
2-aminospiro[3.3]heptane-2-carboxamide
CID 59814889
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088294
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116598505
2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethylcycloheptane-1-carboxamide?
The IUPAC name of 1-amino-4,4-dimethylcycloheptane-1-carboxamide (CID 65088095) is 1-amino-4,4-dimethylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-amino-4,4-dimethylcycloheptane-1-carboxamide?
The canonical SMILES for 1-amino-4,4-dimethylcycloheptane-1-carboxamide is CC1(C)CCCC(N)(C(N)=O)CC1.
What is the InChIKey of 1-amino-4,4-dimethylcycloheptane-1-carboxamide?
The InChIKey is HMPLHELLKLMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)4-3-5-10(12,7-6-9)8(11)13/h3-7,12H2,1-2H3,(H2,11,13).
What are the key properties of 1-amino-4,4-dimethylcycloheptane-1-carboxamide?
1-amino-4,4-dimethylcycloheptane-1-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethylcycloheptane-1-carboxamide is sourced from PubChem (CID 65088095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).