N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine

C13H26N2O — CID 107069381

IUPACN-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine
SMILESCC1CCCNC1CNCC1(C)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-5-3-7-15-12(11)9-14-10-13(2)6-4-8-16-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyJCFLJLFMGXBELR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.53
Rot. Bonds4

About N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine

N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine (PubChem CID 107069381) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine
PubChem CID107069381
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine
SMILESCC1CCCNC1CNCC1(C)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-5-3-7-15-12(11)9-14-10-13(2)6-4-8-16-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyJCFLJLFMGXBELR-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine (CID 107069381) is N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine is CC1CCCNC1CNCC1(C)CCCO1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine?
The InChIKey is JCFLJLFMGXBELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-5-3-7-15-12(11)9-14-10-13(2)6-4-8-16-13/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine?
N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 107069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).