4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine

C14H22N2S — CID 55062292

IUPAC4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H22N2S/c15-11-5-7-12(8-6-11)16-14(10-3-4-10)13-2-1-9-17-13/h1-2,9-12,14,16H,3-8,15H2
InChIKeyDDPDTBCVUBDHFN-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.06
Rot. Bonds4

About 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine

4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 55062292) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
PubChem CID55062292
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H22N2S/c15-11-5-7-12(8-6-11)16-14(10-3-4-10)13-2-1-9-17-13/h1-2,9-12,14,16H,3-8,15H2
InChIKeyDDPDTBCVUBDHFN-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine (CID 55062292) is 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine is NC1CCC(NC(c2cccs2)C2CC2)CC1.
What is the InChIKey of 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is DDPDTBCVUBDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c15-11-5-7-12(8-6-11)16-14(10-3-4-10)13-2-1-9-17-13/h1-2,9-12,14,16H,3-8,15H2.
What are the key properties of 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine?
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 250.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 55062292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).