N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine

C14H26N4 — CID 91835125

IUPACN-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(CCCn2ccnc2C)C1
InChIInChI=1S/C14H26N4/c1-13-16-6-10-18(13)9-4-8-17-7-3-5-14(12-17)11-15-2/h6,10,14-15H,3-5,7-9,11-12H2,1-2H3
InChIKeyIHNGQYRMKWWXBO-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine (PubChem CID 91835125) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine
PubChem CID91835125
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(CCCn2ccnc2C)C1
InChIInChI=1S/C14H26N4/c1-13-16-6-10-18(13)9-4-8-17-7-3-5-14(12-17)11-15-2/h6,10,14-15H,3-5,7-9,11-12H2,1-2H3
InChIKeyIHNGQYRMKWWXBO-UHFFFAOYSA-N
XLogP1.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine (CID 91835125) is N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine is CNCC1CCCN(CCCn2ccnc2C)C1.
What is the InChIKey of N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine?
The InChIKey is IHNGQYRMKWWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13-16-6-10-18(13)9-4-8-17-7-3-5-14(12-17)11-15-2/h6,10,14-15H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 91835125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).