N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide

C12H22N2O — CID 81483380

IUPACN-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(CCCN)C(=O)C1C2CCCCC21
InChIInChI=1S/C12H22N2O/c1-14(8-4-7-13)12(15)11-9-5-2-3-6-10(9)11/h9-11H,2-8,13H2,1H3
InChIKeyMSAVGTAETYTQSZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.23
Rot. Bonds4

About N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide

N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81483380) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81483380
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(CCCN)C(=O)C1C2CCCCC21
InChIInChI=1S/C12H22N2O/c1-14(8-4-7-13)12(15)11-9-5-2-3-6-10(9)11/h9-11H,2-8,13H2,1H3
InChIKeyMSAVGTAETYTQSZ-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-(3-aminopropyl)-N-methylthiane-2-carboxamide
CID 115318914
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide (CID 81483380) is N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide is CN(CCCN)C(=O)C1C2CCCCC21.
What is the InChIKey of N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is MSAVGTAETYTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14(8-4-7-13)12(15)11-9-5-2-3-6-10(9)11/h9-11H,2-8,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).