3-propan-2-yloxypropan-1-amine;hydrochloride

C6H16ClNO — CID 18670799

IUPAC3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2)8-5-3-4-7;/h6H,3-5,7H2,1-2H3;1H
InChIKeyIBOWSFAEWIWWBH-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.18
Rot. Bonds4

About 3-propan-2-yloxypropan-1-amine;hydrochloride

3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 18670799) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID18670799
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2)8-5-3-4-7;/h6H,3-5,7H2,1-2H3;1H
InChIKeyIBOWSFAEWIWWBH-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-propan-2-yloxypropan-1-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

2-propan-2-yloxyethanamine
CID 533866
1-(3-aminopropoxy)ethanol
CID 19915425
1,6-di(propan-2-yloxy)hexane
CID 10899702
3-(3-aminopropoxy)butan-1-amine
CID 165053672
3-butan-2-yloxypropan-1-amine
CID 54795719
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
1-methyl-1-(3-propan-2-yloxypropyl)hydrazine
CID 130815808
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of 3-propan-2-yloxypropan-1-amine;hydrochloride (CID 18670799) is 3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-propan-2-yloxypropan-1-amine;hydrochloride is CC(C)OCCCN.Cl.
What is the InChIKey of 3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is IBOWSFAEWIWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2)8-5-3-4-7;/h6H,3-5,7H2,1-2H3;1H.
What are the key properties of 3-propan-2-yloxypropan-1-amine;hydrochloride?
3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 18670799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).