N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride

C22H28ClNO — CID 2835432

IUPACN,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride
SMILESCCN(CC)CC#CCC(OC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO.ClH/c1-4-23(5-2)19-13-12-18-22(24-3,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6-11,14-17H,4-5,18-19H2,1-3H3;1H
InChIKeyIBLMOEVPYKXRBA-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.73
Rot. Bonds7

About N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride

N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride (PubChem CID 2835432) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride
PubChem CID2835432
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC NameN,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride
SMILESCCN(CC)CC#CCC(OC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO.ClH/c1-4-23(5-2)19-13-12-18-22(24-3,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6-11,14-17H,4-5,18-19H2,1-3H3;1H
InChIKeyIBLMOEVPYKXRBA-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride?
The IUPAC name of N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride (CID 2835432) is N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride is CCN(CC)CC#CCC(OC)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride?
The InChIKey is IBLMOEVPYKXRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.ClH/c1-4-23(5-2)19-13-12-18-22(24-3,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6-11,14-17H,4-5,18-19H2,1-3H3;1H.
What are the key properties of N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride?
N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-5,5-diphenylpent-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 2835432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).