3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine

C15H30N2O — CID 114113974

IUPAC3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine
SMILESCCCC1(CNC2(C)CCCOC2)CCNCC1
InChIInChI=1S/C15H30N2O/c1-3-5-15(7-9-16-10-8-15)12-17-14(2)6-4-11-18-13-14/h16-17H,3-13H2,1-2H3
InChIKeyGZXCMHASQFDJRK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.32
Rot. Bonds5

About 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine

3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine (PubChem CID 114113974) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine
PubChem CID114113974
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine
SMILESCCCC1(CNC2(C)CCCOC2)CCNCC1
InChIInChI=1S/C15H30N2O/c1-3-5-15(7-9-16-10-8-15)12-17-14(2)6-4-11-18-13-14/h16-17H,3-13H2,1-2H3
InChIKeyGZXCMHASQFDJRK-UHFFFAOYSA-N
XLogP2.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
CID 114113999
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
2-(oxolan-2-yl)-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129724
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylcyclopentan-1-amine
CID 114042150
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
CID 106976533
(4-propylpiperidin-4-yl)methylcarbamic acid
CID 118239545
2-oxa-8-azaspiro[4.5]decane;propane
CID 143531697
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
CID 114113576
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine?
The IUPAC name of 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine (CID 114113974) is 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine?
The canonical SMILES for 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine is CCCC1(CNC2(C)CCCOC2)CCNCC1.
What is the InChIKey of 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine?
The InChIKey is GZXCMHASQFDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-15(7-9-16-10-8-15)12-17-14(2)6-4-11-18-13-14/h16-17H,3-13H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine?
3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 114113974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).