N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine

C16H29N — CID 10537737

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine
SMILESCC(C)=CCC/C(C)=C/CNC1CCCCC1
InChIInChI=1S/C16H29N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13H2,1-3H3/b15-12+
InChIKeyMDDPCRWYJNHUFS-NTCAYCPXSA-N
MW235.41 g/mol
LogP4.60
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine (PubChem CID 10537737) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine
PubChem CID10537737
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine
SMILESCC(C)=CCC/C(C)=C/CNC1CCCCC1
InChIInChI=1S/C16H29N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13H2,1-3H3/b15-12+
InChIKeyMDDPCRWYJNHUFS-NTCAYCPXSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine (CID 10537737) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine is CC(C)=CCC/C(C)=C/CNC1CCCCC1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine?
The InChIKey is MDDPCRWYJNHUFS-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H29N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13H2,1-3H3/b15-12+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine has a molecular weight of 235.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclohexanamine is sourced from PubChem (CID 10537737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).