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

C16H29N — CID 54066166

IUPACN-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCNC1CCCCC1
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
InChIKeyMDDPCRWYJNHUFS-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.60
Rot. Bonds6

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

N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine (PubChem CID 54066166) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine
PubChem CID54066166
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine
SMILESCC(C)=CCCC(C)=CCNC1CCCCC1
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
InChIKeyMDDPCRWYJNHUFS-UHFFFAOYSA-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-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine (CID 54066166) is N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine is CC(C)=CCCC(C)=CCNC1CCCCC1.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine?
The InChIKey is MDDPCRWYJNHUFS-UHFFFAOYSA-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.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine?
N-(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-(3,7-dimethylocta-2,6-dienyl)cyclohexanamine is sourced from PubChem (CID 54066166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).