(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride

C15H24ClN — CID 140979903

IUPAC(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride
SMILESC/C=C(\c1ccccc1C)C(C)CN(C)C.Cl
InChIInChI=1S/C15H23N.ClH/c1-6-14(13(3)11-16(4)5)15-10-8-7-9-12(15)2;/h6-10,13H,11H2,1-5H3;1H/b14-6-;
InChIKeyPXNNBVMZAFUHEJ-WQMRFYCQSA-N
MW253.82 g/mol
LogP4.02
Rot. Bonds4

About (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride

(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride (PubChem CID 140979903) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride
PubChem CID140979903
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride
SMILESC/C=C(\c1ccccc1C)C(C)CN(C)C.Cl
InChIInChI=1S/C15H23N.ClH/c1-6-14(13(3)11-16(4)5)15-10-8-7-9-12(15)2;/h6-10,13H,11H2,1-5H3;1H/b14-6-;
InChIKeyPXNNBVMZAFUHEJ-WQMRFYCQSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol
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(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
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2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
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N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
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(Z)-2-methyl-4-(2-methylphenyl)hex-4-enamide
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1-[(E)-but-2-en-2-yl]-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride?
The IUPAC name of (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride (CID 140979903) is (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride is C/C=C(\c1ccccc1C)C(C)CN(C)C.Cl.
What is the InChIKey of (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride?
The InChIKey is PXNNBVMZAFUHEJ-WQMRFYCQSA-N. The full InChI is InChI=1S/C15H23N.ClH/c1-6-14(13(3)11-16(4)5)15-10-8-7-9-12(15)2;/h6-10,13H,11H2,1-5H3;1H/b14-6-;.
What are the key properties of (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride?
(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride has a molecular weight of 253.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride is sourced from PubChem (CID 140979903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).