3-prop-2-ynoxypropan-1-amine;hydrochloride

C6H12ClNO — CID 154853238

IUPAC3-prop-2-ynoxypropan-1-amine;hydrochloride
SMILESC#CCOCCCN.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-5-8-6-3-4-7;/h1H,3-7H2;1H
InChIKeyRYUDRUMOOALENQ-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.41
Rot. Bonds4

About 3-prop-2-ynoxypropan-1-amine;hydrochloride

3-prop-2-ynoxypropan-1-amine;hydrochloride (PubChem CID 154853238) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-prop-2-ynoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-ynoxypropan-1-amine;hydrochloride
PubChem CID154853238
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-prop-2-ynoxypropan-1-amine;hydrochloride
SMILESC#CCOCCCN.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-5-8-6-3-4-7;/h1H,3-7H2;1H
InChIKeyRYUDRUMOOALENQ-UHFFFAOYSA-N
XLogP0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-ynoxypropan-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

4-prop-2-ynoxybutan-1-amine
CID 126972070
CID 172894425
CID 172894425
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
O-(2-prop-2-ynoxyethyl)hydroxylamine;hydrochloride
CID 163342975
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107
3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
CID 155396876
5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
CID 171638343
12-prop-2-ynoxydodecan-1-ol
CID 21311697
5-prop-2-ynoxypentan-1-ol
CID 10796854
3-[3-aminopropyl-[3-[3-hydroxypropyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl]amino]propan-1-ol
CID 155396869
7-prop-2-ynoxyheptanamide
CID 91308975

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxypropan-1-amine;hydrochloride?
The IUPAC name of 3-prop-2-ynoxypropan-1-amine;hydrochloride (CID 154853238) is 3-prop-2-ynoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-prop-2-ynoxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-prop-2-ynoxypropan-1-amine;hydrochloride is C#CCOCCCN.Cl.
What is the InChIKey of 3-prop-2-ynoxypropan-1-amine;hydrochloride?
The InChIKey is RYUDRUMOOALENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-5-8-6-3-4-7;/h1H,3-7H2;1H.
What are the key properties of 3-prop-2-ynoxypropan-1-amine;hydrochloride?
3-prop-2-ynoxypropan-1-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 154853238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).