4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine

C17H28N2S — CID 114762977

IUPAC4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(Cc2ccsc2)C2CC2)CC1
InChIInChI=1S/C17H28N2S/c1-2-10-18-15-3-5-16(6-4-15)19(17-7-8-17)12-14-9-11-20-13-14/h9,11,13,15-18H,2-8,10,12H2,1H3
InChIKeyLRIVVTGPXJUTCR-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.02
Rot. Bonds7

About 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine

4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 114762977) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID114762977
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(Cc2ccsc2)C2CC2)CC1
InChIInChI=1S/C17H28N2S/c1-2-10-18-15-3-5-16(6-4-15)19(17-7-8-17)12-14-9-11-20-13-14/h9,11,13,15-18H,2-8,10,12H2,1H3
InChIKeyLRIVVTGPXJUTCR-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
CID 80798980
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine (CID 114762977) is 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine is CCCNC1CCC(N(Cc2ccsc2)C2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is LRIVVTGPXJUTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-10-18-15-3-5-16(6-4-15)19(17-7-8-17)12-14-9-11-20-13-14/h9,11,13,15-18H,2-8,10,12H2,1H3.
What are the key properties of 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine?
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 292.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114762977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).