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

C14H30N2 — CID 115887279

IUPAC2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine
SMILESCCC(C)CNCCCN1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-4-13(2)11-15-8-6-10-16-9-5-7-14(3)12-16/h13-15H,4-12H2,1-3H3
InChIKeyMTPDDMSOJJMSBK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

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

2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine (PubChem CID 115887279) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine
PubChem CID115887279
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine
SMILESCCC(C)CNCCCN1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-4-13(2)11-15-8-6-10-16-9-5-7-14(3)12-16/h13-15H,4-12H2,1-3H3
InChIKeyMTPDDMSOJJMSBK-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine (CID 115887279) is 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine is CCC(C)CNCCCN1CCCC(C)C1.
What is the InChIKey of 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
The InChIKey is MTPDDMSOJJMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13(2)11-15-8-6-10-16-9-5-7-14(3)12-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine?
2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 115887279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).