N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride

C27H44Cl2N2 — CID 70500954

IUPACN'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
SMILESCC(C)CNCC(CCCN(C)CCc1ccccc1)(c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C27H42N2.2ClH/c1-23(2)21-28-22-27(24(3)4,26-15-10-7-11-16-26)18-12-19-29(5)20-17-25-13-8-6-9-14-25;;/h6-11,13-16,23-24,28H,12,17-22H2,1-5H3;2*1H
InChIKeyUJSITOMQWAFDBU-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.62
Rot. Bonds13

About N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride

N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride (PubChem CID 70500954) has the molecular formula C27H44Cl2N2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
PubChem CID70500954
Molecular FormulaC27H44Cl2N2
Molecular Weight467.57 g/mol
Exact Mass466.29
IUPAC NameN'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
SMILESCC(C)CNCC(CCCN(C)CCc1ccccc1)(c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C27H42N2.2ClH/c1-23(2)21-28-22-27(24(3)4,26-15-10-7-11-16-26)18-12-19-29(5)20-17-25-13-8-6-9-14-25;;/h6-11,13-16,23-24,28H,12,17-22H2,1-5H3;2*1H
InChIKeyUJSITOMQWAFDBU-UHFFFAOYSA-N
XLogP6.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride with MolForge

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Related Compounds

N-butyl-N'-methyl-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70496478
N-butan-2-yl-N'-methyl-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70496642
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
N,N,N',2-tetramethyl-2-phenyl-N'-(2-phenylethyl)pentane-1,5-diamine
CID 70495377
N-butyl-2-(3,4-dimethoxyphenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70535827
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
(2S)-2-(3,5-dimethoxyphenyl)-5-[methyl(2-phenylethyl)amino]-2-propan-2-ylpentanenitrile
CID 70371909
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 65487082

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride (CID 70500954) is N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride is CC(C)CNCC(CCCN(C)CCc1ccccc1)(c1ccccc1)C(C)C.Cl.Cl.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride?
The InChIKey is UJSITOMQWAFDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2.2ClH/c1-23(2)21-28-22-27(24(3)4,26-15-10-7-11-16-26)18-12-19-29(5)20-17-25-13-8-6-9-14-25;;/h6-11,13-16,23-24,28H,12,17-22H2,1-5H3;2*1H.
What are the key properties of N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride?
N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride has a molecular weight of 467.57 g/mol, XLogP of 6.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride is sourced from PubChem (CID 70500954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).