3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide

C15H29N3O — CID 63682865

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN(C)CC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C15H29N3O/c1-10(2)17-14(15(16)19)9-18(3)8-13-7-11-4-5-12(13)6-11/h10-14,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyLTFSJAPIAFRMDZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.21
Rot. Bonds7

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide (PubChem CID 63682865) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
PubChem CID63682865
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN(C)CC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C15H29N3O/c1-10(2)17-14(15(16)19)9-18(3)8-13-7-11-4-5-12(13)6-11/h10-14,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyLTFSJAPIAFRMDZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
2-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropylpropanamide
CID 63927049
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279

Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide (CID 63682865) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide is CC(C)NC(CN(C)CC1CC2CCC1C2)C(N)=O.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide?
The InChIKey is LTFSJAPIAFRMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-10(2)17-14(15(16)19)9-18(3)8-13-7-11-4-5-12(13)6-11/h10-14,17H,4-9H2,1-3H3,(H2,16,19).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63682865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).