1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine

C14H26N2S — CID 62090518

IUPAC1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)c1ccsc1
InChIInChI=1S/C14H26N2S/c1-11(2)8-14(9-16(4)5)15-12(3)13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeyIQCXGMOPZKIDSV-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.38
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine (PubChem CID 62090518) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine
PubChem CID62090518
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)c1ccsc1
InChIInChI=1S/C14H26N2S/c1-11(2)8-14(9-16(4)5)15-12(3)13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeyIQCXGMOPZKIDSV-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62091746
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine
CID 115721641
4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
CID 115494195
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
CID 115716392
2-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 82963208

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine (CID 62090518) is 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NC(C)c1ccsc1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine?
The InChIKey is IQCXGMOPZKIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)8-14(9-16(4)5)15-12(3)13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 62090518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).