2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide

C15H31N3O — CID 65230009

IUPAC2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(2)13(10-16)14(19)17-12-6-8-18(9-7-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyFGMVFCPIPPLNJI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds4

About 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide

2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide (PubChem CID 65230009) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
PubChem CID65230009
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(2)13(10-16)14(19)17-12-6-8-18(9-7-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyFGMVFCPIPPLNJI-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 65227239
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 65465095
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
CID 83033230
N-(1-tert-butylpiperidin-4-yl)-5-hydroxypentanamide
CID 79199518
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide (CID 65230009) is 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide is CC(C)C(CN)C(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide?
The InChIKey is FGMVFCPIPPLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)13(10-16)14(19)17-12-6-8-18(9-7-12)15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide?
2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide is sourced from PubChem (CID 65230009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).