N,3,7-trimethyloct-6-en-1-amine

C11H23N — CID 22251448

IUPACN,3,7-trimethyloct-6-en-1-amine
SMILESCNCCC(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11-12H,5,7-9H2,1-4H3
InChIKeyMQDCNEXVTOGPAR-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About N,3,7-trimethyloct-6-en-1-amine

N,3,7-trimethyloct-6-en-1-amine (PubChem CID 22251448) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,3,7-trimethyloct-6-en-1-amine.

Molecular Properties

Compound NameN,3,7-trimethyloct-6-en-1-amine
PubChem CID22251448
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,3,7-trimethyloct-6-en-1-amine
SMILESCNCCC(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11-12H,5,7-9H2,1-4H3
InChIKeyMQDCNEXVTOGPAR-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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-trimethyloct-6-en-1-amine?
The IUPAC name of N,3,7-trimethyloct-6-en-1-amine (CID 22251448) is N,3,7-trimethyloct-6-en-1-amine.
What is the SMILES notation for N,3,7-trimethyloct-6-en-1-amine?
The canonical SMILES for N,3,7-trimethyloct-6-en-1-amine is CNCCC(C)CCC=C(C)C.
What is the InChIKey of N,3,7-trimethyloct-6-en-1-amine?
The InChIKey is MQDCNEXVTOGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11-12H,5,7-9H2,1-4H3.
What are the key properties of N,3,7-trimethyloct-6-en-1-amine?
N,3,7-trimethyloct-6-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7-trimethyloct-6-en-1-amine is sourced from PubChem (CID 22251448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).