N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine

C18H32F2N2 — CID 134468722

IUPACN'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine
SMILESC/C=C(F)\C(=C/C)C(C)(F)CN(CCN)CC1CCCCC1
InChIInChI=1S/C18H32F2N2/c1-4-16(17(19)5-2)18(3,20)14-22(12-11-21)13-15-9-7-6-8-10-15/h4-5,15H,6-14,21H2,1-3H3/b16-4+,17-5+
InChIKeyDISPMVXZTXOIPT-KOVNFMEWSA-N
MW314.46 g/mol
LogP4.38
Rot. Bonds8

About N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine

N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine (PubChem CID 134468722) has the molecular formula C18H32F2N2 and a molecular weight of 314.46 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine
PubChem CID134468722
Molecular FormulaC18H32F2N2
Molecular Weight314.46 g/mol
Exact Mass314.25
IUPAC NameN'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine
SMILESC/C=C(F)\C(=C/C)C(C)(F)CN(CCN)CC1CCCCC1
InChIInChI=1S/C18H32F2N2/c1-4-16(17(19)5-2)18(3,20)14-22(12-11-21)13-15-9-7-6-8-10-15/h4-5,15H,6-14,21H2,1-3H3/b16-4+,17-5+
InChIKeyDISPMVXZTXOIPT-KOVNFMEWSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine (CID 134468722) is N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine is C/C=C(F)\C(=C/C)C(C)(F)CN(CCN)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine?
The InChIKey is DISPMVXZTXOIPT-KOVNFMEWSA-N. The full InChI is InChI=1S/C18H32F2N2/c1-4-16(17(19)5-2)18(3,20)14-22(12-11-21)13-15-9-7-6-8-10-15/h4-5,15H,6-14,21H2,1-3H3/b16-4+,17-5+.
What are the key properties of N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine has a molecular weight of 314.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-[(E,3E)-3-ethylidene-2,4-difluoro-2-methylhex-4-enyl]ethane-1,2-diamine is sourced from PubChem (CID 134468722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).