N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide

C15H29N3O — CID 122080565

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H29N3O/c1-3-15(4-2,10-16)18-14(19)9-11-7-12-5-6-13(8-11)17-12/h11-13,17H,3-10,16H2,1-2H3,(H,18,19)
InChIKeyVQMWOVUIIQZQOO-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.54
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 122080565) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID122080565
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H29N3O/c1-3-15(4-2,10-16)18-14(19)9-11-7-12-5-6-13(8-11)17-12/h11-13,17H,3-10,16H2,1-2H3,(H,18,19)
InChIKeyVQMWOVUIIQZQOO-UHFFFAOYSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119570689
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
CID 122080556
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 119691461
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylcyclopropyl)acetamide
CID 115739552
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)acetamide;hydrochloride
CID 119819142
methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
CID 119815297
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 119734263

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 122080565) is N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is CCC(CC)(CN)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is VQMWOVUIIQZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-15(4-2,10-16)18-14(19)9-11-7-12-5-6-13(8-11)17-12/h11-13,17H,3-10,16H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 122080565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).