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

C12H25N3O — CID 63887978

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-12(5-2,9-13)14-11(16)10-6-7-15(3)8-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyHLWDMMHFXDQIIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 63887978) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID63887978
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-12(5-2,9-13)14-11(16)10-6-7-15(3)8-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyHLWDMMHFXDQIIK-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
N-[3-(aminomethyl)pentan-3-yl]-2-methylcyclopentane-1-carboxamide
CID 107180771
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119571971
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119570056
N-[3-(aminomethyl)pentan-3-yl]cyclohex-3-ene-1-carboxamide
CID 63888954
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915700
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate
CID 54938793

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide (CID 63887978) is N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide is CCC(CC)(CN)NC(=O)C1CCN(C)C1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is HLWDMMHFXDQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(5-2,9-13)14-11(16)10-6-7-15(3)8-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63887978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).