3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide

C12H22N2O — CID 115891278

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
SMILESCNC(=O)CC(C)NC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-8(5-12(15)13-2)14-11-7-9-3-4-10(11)6-9/h8-11,14H,3-7H2,1-2H3,(H,13,15)
InChIKeySONOGPFFQIIUNS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide

3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide (PubChem CID 115891278) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
PubChem CID115891278
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
SMILESCNC(=O)CC(C)NC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-8(5-12(15)13-2)14-11-7-9-3-4-10(11)6-9/h8-11,14H,3-7H2,1-2H3,(H,13,15)
InChIKeySONOGPFFQIIUNS-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylamino)-N-methylpropanamide
CID 61464603
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
CID 103390066
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
CID 98442571
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-(1-piperidin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 79537041
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide (CID 115891278) is 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide is CNC(=O)CC(C)NC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide?
The InChIKey is SONOGPFFQIIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(5-12(15)13-2)14-11-7-9-3-4-10(11)6-9/h8-11,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide is sourced from PubChem (CID 115891278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).