N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride

C14H22ClN — CID 3046459

IUPACN,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-4-8-13(11-12-15(2)3)14-9-6-5-7-10-14;/h4-7,9-10,13H,1,8,11-12H2,2-3H3;1H
InChIKeyUEXFQJZLRSCDJZ-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.72
Rot. Bonds6

About N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride

N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride (PubChem CID 3046459) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
PubChem CID3046459
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-4-8-13(11-12-15(2)3)14-9-6-5-7-10-14;/h4-7,9-10,13H,1,8,11-12H2,2-3H3;1H
InChIKeyUEXFQJZLRSCDJZ-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oct-1-en-4-ylbenzene
CID 22247233
N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
CID 24838712
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
(3S)-3-phenylhex-5-enal
CID 11229081
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
6-(dimethylamino)-2-oxo-4-phenylhexanoic acid
CID 57180909
1,4-diphenylhept-6-en-1-one
CID 22894004
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
CID 102122071
1-methyl-4-(3-phenylhex-5-enylsulfonyl)benzene
CID 158844988
(5R)-7-phenyldec-9-en-5-ol
CID 134965025

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride (CID 3046459) is N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride is C=CCC(CCN(C)C)c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride?
The InChIKey is UEXFQJZLRSCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-4-8-13(11-12-15(2)3)14-9-6-5-7-10-14;/h4-7,9-10,13H,1,8,11-12H2,2-3H3;1H.
What are the key properties of N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride?
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 3046459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).