N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H26N4S — CID 66130211

IUPACN-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H26N4S/c1-4-7-19-12-18-10-16(19)15(9-17)20(13(2)3)11-14-6-5-8-21-14/h5-6,8,10,12-13,15H,4,7,9,11,17H2,1-3H3
InChIKeyARQKFGTXYVGTRC-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.27
Rot. Bonds8

About N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 66130211) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID66130211
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H26N4S/c1-4-7-19-12-18-10-16(19)15(9-17)20(13(2)3)11-14-6-5-8-21-14/h5-6,8,10,12-13,15H,4,7,9,11,17H2,1-3H3
InChIKeyARQKFGTXYVGTRC-UHFFFAOYSA-N
XLogP3.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 66130407
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453425
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453349
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453182
1-(3-chloro-2-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487837
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 66130211) is N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(Cc1cccs1)C(C)C.
What is the InChIKey of N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ARQKFGTXYVGTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-7-19-12-18-10-16(19)15(9-17)20(13(2)3)11-14-6-5-8-21-14/h5-6,8,10,12-13,15H,4,7,9,11,17H2,1-3H3.
What are the key properties of N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 306.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 66130211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).