(4-ethyloxan-4-yl)methanamine;hydrochloride

C8H18ClNO — CID 86277258

IUPAC(4-ethyloxan-4-yl)methanamine;hydrochloride
SMILESCCC1(CN)CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h2-7,9H2,1H3;1H
InChIKeyRXVDSYTYRPVBDT-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.57
Rot. Bonds2

About (4-ethyloxan-4-yl)methanamine;hydrochloride

(4-ethyloxan-4-yl)methanamine;hydrochloride (PubChem CID 86277258) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (4-ethyloxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-ethyloxan-4-yl)methanamine;hydrochloride
PubChem CID86277258
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(4-ethyloxan-4-yl)methanamine;hydrochloride
SMILESCCC1(CN)CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h2-7,9H2,1H3;1H
InChIKeyRXVDSYTYRPVBDT-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyltetrahydro-2H-pyran-4-methanamine
CID 25220539
(4-Methyloxan-4-yl)methanamine
CID 54165201
{[4-(2-Methoxyethyl)tetrahydro-2H-pyran-4-YL]-methyl}amine
CID 25220540
2-Ethyl-4-methoxy-2-methylbutan-1-amine
CID 62725912
[1-(2-Ethoxyethyl)cyclopropyl]methanamine
CID 66024200
2H-Pyran-4-ethanamine, tetrahydro-4-methyl-
CID 83815188
2-(3-Methyloxan-3-yl)ethanamine
CID 83815189
[4-(Methoxymethyl)oxan-4-yl]methanamine hydrochloride
CID 86277235
[4-(1,1-Difluoroethyl)oxan-4-yl]methanamine hydrochloride
CID 132391452
2-(4-(Methoxymethyl)oxan-4-yl)ethan-1-amine hydrochloride
CID 137951268
(3,3-Dimethyloxan-4-yl)methanamine hydrochloride
CID 138037954
[4-(Aminomethyl)oxan-4-yl]methanamine
CID 68738

Frequently Asked Questions

What is the IUPAC name of (4-ethyloxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (4-ethyloxan-4-yl)methanamine;hydrochloride (CID 86277258) is (4-ethyloxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-ethyloxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (4-ethyloxan-4-yl)methanamine;hydrochloride is CCC1(CN)CCOCC1.Cl.
What is the InChIKey of (4-ethyloxan-4-yl)methanamine;hydrochloride?
The InChIKey is RXVDSYTYRPVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-8(7-9)3-5-10-6-4-8;/h2-7,9H2,1H3;1H.
What are the key properties of (4-ethyloxan-4-yl)methanamine;hydrochloride?
(4-ethyloxan-4-yl)methanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyloxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 86277258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).