N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide

C15H29N3O — CID 55233822

IUPACN-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)CCCN)CC1CC2CCC1C2
InChIInChI=1S/C15H29N3O/c1-17(11-15(19)18(2)7-3-6-16)10-14-9-12-4-5-13(14)8-12/h12-14H,3-11,16H2,1-2H3
InChIKeyRUZCWPNILAIULH-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.16
Rot. Bonds7

About N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide

N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide (PubChem CID 55233822) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
PubChem CID55233822
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)CCCN)CC1CC2CCC1C2
InChIInChI=1S/C15H29N3O/c1-17(11-15(19)18(2)7-3-6-16)10-14-9-12-4-5-13(14)8-12/h12-14H,3-11,16H2,1-2H3
InChIKeyRUZCWPNILAIULH-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
CID 79554083
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
CID 55226684
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 63683013
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-hydroxy-N-methylpentanamide
CID 79199997
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
CID 103155894
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide (CID 55233822) is N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide is CN(CC(=O)N(C)CCCN)CC1CC2CCC1C2.
What is the InChIKey of N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide?
The InChIKey is RUZCWPNILAIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(11-15(19)18(2)7-3-6-16)10-14-9-12-4-5-13(14)8-12/h12-14H,3-11,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide?
N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 55233822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).