N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C17H26N4 — CID 66130799

IUPACN-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H26N4/c1-4-8-21-13-19-11-17(21)16(10-18)20(3)12-15-7-5-6-14(2)9-15/h5-7,9,11,13,16H,4,8,10,12,18H2,1-3H3
InChIKeyFZZDKUAYAVSZRJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66130799) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66130799
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H26N4/c1-4-8-21-13-19-11-17(21)16(10-18)20(3)12-15-7-5-6-14(2)9-15/h5-7,9,11,13,16H,4,8,10,12,18H2,1-3H3
InChIKeyFZZDKUAYAVSZRJ-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 66135725
N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 66130407
N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131202
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N-[(5-bromothiophen-3-yl)methyl]-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66135324
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66130211
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131803
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66130799) is N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(C)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is FZZDKUAYAVSZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-8-21-13-19-11-17(21)16(10-18)20(3)12-15-7-5-6-14(2)9-15/h5-7,9,11,13,16H,4,8,10,12,18H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66130799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).