2-methyl-N-propyloxolan-3-amine;hydrochloride

C8H18ClNO — CID 146154013

IUPAC2-methyl-N-propyloxolan-3-amine;hydrochloride
SMILESCCCNC1CCOC1C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-5-9-8-4-6-10-7(8)2;/h7-9H,3-6H2,1-2H3;1H
InChIKeyJDROJCIZHRRKGK-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds3

About 2-methyl-N-propyloxolan-3-amine;hydrochloride

2-methyl-N-propyloxolan-3-amine;hydrochloride (PubChem CID 146154013) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-methyl-N-propyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-propyloxolan-3-amine;hydrochloride
PubChem CID146154013
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-methyl-N-propyloxolan-3-amine;hydrochloride
SMILESCCCNC1CCOC1C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-5-9-8-4-6-10-7(8)2;/h7-9H,3-6H2,1-2H3;1H
InChIKeyJDROJCIZHRRKGK-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-propyloxolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
2-methyl-N-(3-propoxypropyl)oxolan-3-amine
CID 82940328
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82722831
N-(3-ethylheptyl)-2-methyloxolan-3-amine
CID 115885895
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031
2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
CID 115890220
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 97358081
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyloxolan-3-amine;hydrochloride?
The IUPAC name of 2-methyl-N-propyloxolan-3-amine;hydrochloride (CID 146154013) is 2-methyl-N-propyloxolan-3-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-propyloxolan-3-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-propyloxolan-3-amine;hydrochloride is CCCNC1CCOC1C.Cl.
What is the InChIKey of 2-methyl-N-propyloxolan-3-amine;hydrochloride?
The InChIKey is JDROJCIZHRRKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-3-5-9-8-4-6-10-7(8)2;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 2-methyl-N-propyloxolan-3-amine;hydrochloride?
2-methyl-N-propyloxolan-3-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 146154013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).