N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride

C21H30ClN — CID 3044120

IUPACN,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride
SMILESCN(C)C(C)(C)CCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29N.ClH/c1-21(2,22(3)4)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5-10,12-15,20H,11,16-17H2,1-4H3;1H
InChIKeyBNHXDSTWFQRWSJ-UHFFFAOYSA-N
MW331.93 g/mol
LogP5.75
Rot. Bonds7

About N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride

N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride (PubChem CID 3044120) has the molecular formula C21H30ClN and a molecular weight of 331.93 g/mol. Its IUPAC name is N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride
PubChem CID3044120
Molecular FormulaC21H30ClN
Molecular Weight331.93 g/mol
Exact Mass331.21
IUPAC NameN,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride
SMILESCN(C)C(C)(C)CCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29N.ClH/c1-21(2,22(3)4)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5-10,12-15,20H,11,16-17H2,1-4H3;1H
InChIKeyBNHXDSTWFQRWSJ-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.93
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57073199
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CID 66694525
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
6,6-diphenylhexan-3-ol
CID 57258566
4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
CID 23276099
1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine
CID 79670037
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride?
The IUPAC name of N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride (CID 3044120) is N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride.
What is the SMILES notation for N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride?
The canonical SMILES for N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride is CN(C)C(C)(C)CCCC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride?
The InChIKey is BNHXDSTWFQRWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N.ClH/c1-21(2,22(3)4)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5-10,12-15,20H,11,16-17H2,1-4H3;1H.
What are the key properties of N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride?
N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride is sourced from PubChem (CID 3044120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).