N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide

C13H27N3O — CID 79155532

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCC(CC)(CN)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-4-13(5-2,11-14)15(3)12(17)16-9-7-6-8-10-16/h4-11,14H2,1-3H3
InChIKeyMQKQXTWJBABDMK-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.04
Rot. Bonds4

About N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 79155532) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID79155532
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCC(CC)(CN)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-4-13(5-2,11-14)15(3)12(17)16-9-7-6-8-10-16/h4-11,14H2,1-3H3
InChIKeyMQKQXTWJBABDMK-UHFFFAOYSA-N
XLogP2.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
CID 79154886
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116656144
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
2-(1-amino-2-methylbutan-2-yl)oxy-1-piperidin-1-ylethanone
CID 65053458
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
CID 65053017
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide (CID 79155532) is N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide is CCC(CC)(CN)N(C)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is MQKQXTWJBABDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-13(5-2,11-14)15(3)12(17)16-9-7-6-8-10-16/h4-11,14H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79155532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).