1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine

C14H28N2O — CID 114125910

IUPAC1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
SMILESCC1(CNCC2(C)CCCNC2)CCOCC1
InChIInChI=1S/C14H28N2O/c1-13(5-8-17-9-6-13)10-16-12-14(2)4-3-7-15-11-14/h15-16H,3-12H2,1-2H3
InChIKeyNZICQWOEFFATFU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine

1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine (PubChem CID 114125910) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
PubChem CID114125910
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
SMILESCC1(CNCC2(C)CCCNC2)CCOCC1
InChIInChI=1S/C14H28N2O/c1-13(5-8-17-9-6-13)10-16-12-14(2)4-3-7-15-11-14/h15-16H,3-12H2,1-2H3
InChIKeyNZICQWOEFFATFU-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120720798
(3-methylpiperidin-3-yl)methanol
CID 19594566
3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 113267282
1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381858
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120876267

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine (CID 114125910) is 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine is CC1(CNCC2(C)CCCNC2)CCOCC1.
What is the InChIKey of 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The InChIKey is NZICQWOEFFATFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(5-8-17-9-6-13)10-16-12-14(2)4-3-7-15-11-14/h15-16H,3-12H2,1-2H3.
What are the key properties of 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 114125910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).