1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

C18H26N2S — CID 63321804

IUPAC1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)N(CCCC(N)c1ccccc1)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-15(2)20(14-17-10-7-13-21-17)12-6-11-18(19)16-8-4-3-5-9-16/h3-5,7-10,13,15,18H,6,11-12,14,19H2,1-2H3
InChIKeyAUFDPMQUAXIWDQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.44
Rot. Bonds8

About 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (PubChem CID 63321804) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
PubChem CID63321804
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)N(CCCC(N)c1ccccc1)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-15(2)20(14-17-10-7-13-21-17)12-6-11-18(19)16-8-4-3-5-9-16/h3-5,7-10,13,15,18H,6,11-12,14,19H2,1-2H3
InChIKeyAUFDPMQUAXIWDQ-UHFFFAOYSA-N
XLogP4.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (CID 63321804) is 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is CC(C)N(CCCC(N)c1ccccc1)Cc1cccs1.
What is the InChIKey of 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The InChIKey is AUFDPMQUAXIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15(2)20(14-17-10-7-13-21-17)12-6-11-18(19)16-8-4-3-5-9-16/h3-5,7-10,13,15,18H,6,11-12,14,19H2,1-2H3.
What are the key properties of 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 63321804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).