N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine

C17H30N2 — CID 62628726

IUPACN,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)C)c1ccccc1C
InChIInChI=1S/C17H30N2/c1-13(2)15(4)19(6)12-11-17(18-5)16-10-8-7-9-14(16)3/h7-10,13,15,17-18H,11-12H2,1-6H3
InChIKeyBEJZREACZIAZHV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.62
Rot. Bonds7

About N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine

N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62628726) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID62628726
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)C)c1ccccc1C
InChIInChI=1S/C17H30N2/c1-13(2)15(4)19(6)12-11-17(18-5)16-10-8-7-9-14(16)3/h7-10,13,15,17-18H,11-12H2,1-6H3
InChIKeyBEJZREACZIAZHV-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664920
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412
N'-butan-2-yl-N'-(2-methoxyethyl)-N-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62624514
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62628744
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
CID 54447002
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine (CID 62628726) is N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine is CNC(CCN(C)C(C)C(C)C)c1ccccc1C.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is BEJZREACZIAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)15(4)19(6)12-11-17(18-5)16-10-8-7-9-14(16)3/h7-10,13,15,17-18H,11-12H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine?
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62628726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).