N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine

C28H53N — CID 71605821

IUPACN-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine
SMILESC=C(CCCCCC)C(C)CN(CC/C(=C/C)CCCCCC)C1CCCCC1
InChIInChI=1S/C28H53N/c1-6-9-11-14-18-25(4)26(5)24-29(28-20-16-13-17-21-28)23-22-27(8-3)19-15-12-10-7-2/h8,26,28H,4,6-7,9-24H2,1-3,5H3/b27-8+
InChIKeyBYYKYFIGRXUYFB-FLUNURKVSA-N
MW403.74 g/mol
LogP9.09
Rot. Bonds17

About N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine

N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine (PubChem CID 71605821) has the molecular formula C28H53N and a molecular weight of 403.74 g/mol. Its IUPAC name is N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine.

Molecular Properties

Compound NameN-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine
PubChem CID71605821
Molecular FormulaC28H53N
Molecular Weight403.74 g/mol
Exact Mass403.42
IUPAC NameN-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine
SMILESC=C(CCCCCC)C(C)CN(CC/C(=C/C)CCCCCC)C1CCCCC1
InChIInChI=1S/C28H53N/c1-6-9-11-14-18-25(4)26(5)24-29(28-20-16-13-17-21-28)23-22-27(8-3)19-15-12-10-7-2/h8,26,28H,4,6-7,9-24H2,1-3,5H3/b27-8+
InChIKeyBYYKYFIGRXUYFB-FLUNURKVSA-N
XLogP9.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
6-ethylidenehexadecane
CID 169207706
1-cyclohexyl-2-methylidenedodecan-1-ol
CID 101237279
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
ethene;methylcyclopentadecane;N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642832

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine?
The IUPAC name of N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine (CID 71605821) is N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine.
What is the SMILES notation for N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine?
The canonical SMILES for N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine is C=C(CCCCCC)C(C)CN(CC/C(=C/C)CCCCCC)C1CCCCC1.
What is the InChIKey of N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine?
The InChIKey is BYYKYFIGRXUYFB-FLUNURKVSA-N. The full InChI is InChI=1S/C28H53N/c1-6-9-11-14-18-25(4)26(5)24-29(28-20-16-13-17-21-28)23-22-27(8-3)19-15-12-10-7-2/h8,26,28H,4,6-7,9-24H2,1-3,5H3/b27-8+.
What are the key properties of N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine?
N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine has a molecular weight of 403.74 g/mol, XLogP of 9.09, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-ethylidenenonyl]-N-(2-methyl-3-methylidenenonyl)cyclohexanamine is sourced from PubChem (CID 71605821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).