2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide

C11H23N3O — CID 103441340

IUPAC2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-5-4-9(3)6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyLRUUMBXVTJISDV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds2

About 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide

2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 103441340) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID103441340
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C)C(CN)C1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-5-4-9(3)6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyLRUUMBXVTJISDV-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130743724
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 103441005
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
CID 103440864
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 103440929
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
methyl 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]butanoate
CID 103441682

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide (CID 103441340) is 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(C)C)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LRUUMBXVTJISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-11(15)14-5-4-9(3)6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 103441340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).