1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine

C13H26N2O — CID 115311832

IUPAC1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine
SMILESCCC1CC(N2CCC(N)CC2C)CCO1
InChIInChI=1S/C13H26N2O/c1-3-13-9-12(5-7-16-13)15-6-4-11(14)8-10(15)2/h10-13H,3-9,14H2,1-2H3
InChIKeyKCTFEULESWEBQB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine

1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine (PubChem CID 115311832) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine
PubChem CID115311832
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine
SMILESCCC1CC(N2CCC(N)CC2C)CCO1
InChIInChI=1S/C13H26N2O/c1-3-13-9-12(5-7-16-13)15-6-4-11(14)8-10(15)2/h10-13H,3-9,14H2,1-2H3
InChIKeyKCTFEULESWEBQB-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2-ethyloxan-4-amine
CID 82651052
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242
1-(2,2-dimethylcyclobutyl)-2-methylpiperidin-4-amine
CID 130554797
4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
CID 79115915
5-ethyloxolan-3-amine
CID 89032290
1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
CID 65039089
N-(2-ethyloxan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 114503263
2-(aminomethyl)oxan-4-amine
CID 121396437
(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 92786638
butane;2-ethyloxan-4-ol
CID 156818442
2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 115312474
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine (CID 115311832) is 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine is CCC1CC(N2CCC(N)CC2C)CCO1.
What is the InChIKey of 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine?
The InChIKey is KCTFEULESWEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-13-9-12(5-7-16-13)15-6-4-11(14)8-10(15)2/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine?
1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloxan-4-yl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 115311832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).