N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride

C6H10ClNO — CID 88724303

IUPACN-prop-2-enoxyprop-2-yn-1-amine;hydrochloride
SMILESC#CCNOCC=C.Cl
InChIInChI=1S/C6H9NO.ClH/c1-3-5-7-8-6-4-2;/h1,4,7H,2,5-6H2;1H
InChIKeyTYDOBTBTVCLPEL-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.75
Rot. Bonds4

About N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride

N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride (PubChem CID 88724303) has the molecular formula C6H10ClNO and a molecular weight of 147.61 g/mol. Its IUPAC name is N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enoxyprop-2-yn-1-amine;hydrochloride
PubChem CID88724303
Molecular FormulaC6H10ClNO
Molecular Weight147.61 g/mol
Exact Mass147.05
IUPAC NameN-prop-2-enoxyprop-2-yn-1-amine;hydrochloride
SMILESC#CCNOCC=C.Cl
InChIInChI=1S/C6H9NO.ClH/c1-3-5-7-8-6-4-2;/h1,4,7H,2,5-6H2;1H
InChIKeyTYDOBTBTVCLPEL-UHFFFAOYSA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride?
The IUPAC name of N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride (CID 88724303) is N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride?
The canonical SMILES for N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride is C#CCNOCC=C.Cl.
What is the InChIKey of N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride?
The InChIKey is TYDOBTBTVCLPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c1-3-5-7-8-6-4-2;/h1,4,7H,2,5-6H2;1H.
What are the key properties of N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride?
N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxyprop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 88724303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).