N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride

C16H24ClN — CID 3046461

IUPACN-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CCN(C)CC=C)c1ccccc1.Cl
InChIInChI=1S/C16H23N.ClH/c1-4-9-15(12-14-17(3)13-5-2)16-10-7-6-8-11-16;/h4-8,10-11,15H,1-2,9,12-14H2,3H3;1H
InChIKeyPFBIRIBYIAAKTG-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.28
Rot. Bonds8

About N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride

N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride (PubChem CID 3046461) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride
PubChem CID3046461
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CCN(C)CC=C)c1ccccc1.Cl
InChIInChI=1S/C16H23N.ClH/c1-4-9-15(12-14-17(3)13-5-2)16-10-7-6-8-11-16;/h4-8,10-11,15H,1-2,9,12-14H2,3H3;1H
InChIKeyPFBIRIBYIAAKTG-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride (CID 3046461) is N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride is C=CCC(CCN(C)CC=C)c1ccccc1.Cl.
What is the InChIKey of N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride?
The InChIKey is PFBIRIBYIAAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.ClH/c1-4-9-15(12-14-17(3)13-5-2)16-10-7-6-8-11-16;/h4-8,10-11,15H,1-2,9,12-14H2,3H3;1H.
What are the key properties of N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride?
N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 3046461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).