N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine

C16H28N2 — CID 55090461

IUPACN'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCC(N(C)CCC(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-13(16(2,3)4)18(5)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeyDUFGEEGWLWWLTR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.44
Rot. Bonds5

About N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine

N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 55090461) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID55090461
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCC(N(C)CCC(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-13(16(2,3)4)18(5)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeyDUFGEEGWLWWLTR-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929647
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine (CID 55090461) is N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine is CC(N(C)CCC(N)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is DUFGEEGWLWWLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(16(2,3)4)18(5)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine?
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 55090461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).