4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine

C17H30N2S — CID 114763468

IUPAC4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C(C)Cc2cccs2)CC1
InChIInChI=1S/C17H30N2S/c1-4-11-18-15-7-9-16(10-8-15)19(3)14(2)13-17-6-5-12-20-17/h5-6,12,14-16,18H,4,7-11,13H2,1-3H3
InChIKeyROESEHRXIQIZEH-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.92
Rot. Bonds7

About 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine

4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine (PubChem CID 114763468) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
PubChem CID114763468
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C(C)Cc2cccs2)CC1
InChIInChI=1S/C17H30N2S/c1-4-11-18-15-7-9-16(10-8-15)19(3)14(2)13-17-6-5-12-20-17/h5-6,12,14-16,18H,4,7-11,13H2,1-3H3
InChIKeyROESEHRXIQIZEH-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine with MolForge

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N-[[5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79490603
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine (CID 114763468) is 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine is CCCNC1CCC(N(C)C(C)Cc2cccs2)CC1.
What is the InChIKey of 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is ROESEHRXIQIZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-11-18-15-7-9-16(10-8-15)19(3)14(2)13-17-6-5-12-20-17/h5-6,12,14-16,18H,4,7-11,13H2,1-3H3.
What are the key properties of 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine?
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 294.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).