[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide

C17H29N3 — CID 90759307

IUPAC[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide
SMILESCCCC1CCC(N2CCCC(CC)/C2=N\C#N)CC1
InChIInChI=1S/C17H29N3/c1-3-6-14-8-10-16(11-9-14)20-12-5-7-15(4-2)17(20)19-13-18/h14-16H,3-12H2,1-2H3/b19-17+
InChIKeyQXUMWAFDIJGGOP-HTXNQAPBSA-N
MW275.44 g/mol
LogP4.35
Rot. Bonds4

About [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide

[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide (PubChem CID 90759307) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide
PubChem CID90759307
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide
SMILESCCCC1CCC(N2CCCC(CC)/C2=N\C#N)CC1
InChIInChI=1S/C17H29N3/c1-3-6-14-8-10-16(11-9-14)20-12-5-7-15(4-2)17(20)19-13-18/h14-16H,3-12H2,1-2H3/b19-17+
InChIKeyQXUMWAFDIJGGOP-HTXNQAPBSA-N
XLogP4.35
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 129700059
CID 129700059
CID 129700063
CID 129700063
CID 58238471
CID 58238471
CID 58717186
CID 58717186
CID 58717233
CID 58717233
CID 58914517
CID 58914517
CID 91105909
CID 91105909
CID 91124161
CID 91124161
CID 135258639
CID 135258639
CID 135258640
CID 135258640
CID 141370146
CID 141370146
CID 142616142
CID 142616142

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide?
The IUPAC name of [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide (CID 90759307) is [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide?
The canonical SMILES for [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide is CCCC1CCC(N2CCCC(CC)/C2=N\C#N)CC1.
What is the InChIKey of [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide?
The InChIKey is QXUMWAFDIJGGOP-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-6-14-8-10-16(11-9-14)20-12-5-7-15(4-2)17(20)19-13-18/h14-16H,3-12H2,1-2H3/b19-17+.
What are the key properties of [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide?
[3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide has a molecular weight of 275.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(4-propylcyclohexyl)piperidin-2-ylidene]cyanamide is sourced from PubChem (CID 90759307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).