N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C17H30N2 — CID 79668044

IUPACN'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(C)ccc1C)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-6-9-19(13-17(4,5)12-18)11-16-10-14(2)7-8-15(16)3/h7-8,10H,6,9,11-13,18H2,1-5H3
InChIKeyUKXGUDLQKDLZST-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.50
Rot. Bonds7

About N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79668044) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79668044
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(C)ccc1C)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-6-9-19(13-17(4,5)12-18)11-16-10-14(2)7-8-15(16)3/h7-8,10H,6,9,11-13,18H2,1-5H3
InChIKeyUKXGUDLQKDLZST-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 135265211
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79665281
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-methoxyphenol
CID 79668627
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79668044) is N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cc(C)ccc1C)CC(C)(C)CN.
What is the InChIKey of N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is UKXGUDLQKDLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-9-19(13-17(4,5)12-18)11-16-10-14(2)7-8-15(16)3/h7-8,10H,6,9,11-13,18H2,1-5H3.
What are the key properties of N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79668044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).