2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine

C14H30N2 — CID 115887280

IUPAC2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
SMILESCCC(C)CNCC(C)N1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-12(2)9-15-10-14(4)16-8-6-7-13(3)11-16/h12-15H,5-11H2,1-4H3
InChIKeyPSMNJOLICLOQLI-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine

2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine (PubChem CID 115887280) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
PubChem CID115887280
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
SMILESCCC(C)CNCC(C)N1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-12(2)9-15-10-14(4)16-8-6-7-13(3)11-16/h12-15H,5-11H2,1-4H3
InChIKeyPSMNJOLICLOQLI-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
CID 115607178
2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887279
2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887273
N-[2-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62433783
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570690
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
1-butyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111151834
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
2-(3-ethylpiperidin-1-yl)-N-propylpropan-1-amine
CID 62433605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine (CID 115887280) is 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine is CCC(C)CNCC(C)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The InChIKey is PSMNJOLICLOQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12(2)9-15-10-14(4)16-8-6-7-13(3)11-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 115887280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).