N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride

C15H26ClN — CID 24838712

IUPACN,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
SMILESCC(C)CC(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C15H25N.ClH/c1-13(2)12-15(10-11-16(3)4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12H2,1-4H3;1H
InChIKeyYUFAWFQAEUXPSQ-UHFFFAOYSA-N
MW255.83 g/mol
LogP4.19
Rot. Bonds6

About N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride

N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride (PubChem CID 24838712) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
PubChem CID24838712
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC NameN,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
SMILESCC(C)CC(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C15H25N.ClH/c1-13(2)12-15(10-11-16(3)4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12H2,1-4H3;1H
InChIKeyYUFAWFQAEUXPSQ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
6-(dimethylamino)-2-oxo-4-phenylhexanoic acid
CID 57180909
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939
4,7-diphenyloctan-2-ylbenzene
CID 21184937
5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
CID 171986460
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
CID 13019465

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride?
The IUPAC name of N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride (CID 24838712) is N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride.
What is the SMILES notation for N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride?
The canonical SMILES for N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride is CC(C)CC(CCN(C)C)c1ccccc1.Cl.
What is the InChIKey of N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride?
The InChIKey is YUFAWFQAEUXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.ClH/c1-13(2)12-15(10-11-16(3)4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12H2,1-4H3;1H.
What are the key properties of N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride?
N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride has a molecular weight of 255.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride is sourced from PubChem (CID 24838712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).