N,N-diethyl-3,7-dimethyloct-6-en-1-amine

C14H29N — CID 14525584

IUPACN,N-diethyl-3,7-dimethyloct-6-en-1-amine
SMILESCCN(CC)CCC(C)CCC=C(C)C
InChIInChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3
InChIKeyWHDMOUKXLOPMBC-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds8

About N,N-diethyl-3,7-dimethyloct-6-en-1-amine

N,N-diethyl-3,7-dimethyloct-6-en-1-amine (PubChem CID 14525584) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N-diethyl-3,7-dimethyloct-6-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,7-dimethyloct-6-en-1-amine
PubChem CID14525584
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N-diethyl-3,7-dimethyloct-6-en-1-amine
SMILESCCN(CC)CCC(C)CCC=C(C)C
InChIInChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3
InChIKeyWHDMOUKXLOPMBC-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
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,N-diethyl-3,7-dimethyloct-6-en-1-amine?
The IUPAC name of N,N-diethyl-3,7-dimethyloct-6-en-1-amine (CID 14525584) is N,N-diethyl-3,7-dimethyloct-6-en-1-amine.
What is the SMILES notation for N,N-diethyl-3,7-dimethyloct-6-en-1-amine?
The canonical SMILES for N,N-diethyl-3,7-dimethyloct-6-en-1-amine is CCN(CC)CCC(C)CCC=C(C)C.
What is the InChIKey of N,N-diethyl-3,7-dimethyloct-6-en-1-amine?
The InChIKey is WHDMOUKXLOPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3.
What are the key properties of N,N-diethyl-3,7-dimethyloct-6-en-1-amine?
N,N-diethyl-3,7-dimethyloct-6-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,7-dimethyloct-6-en-1-amine is sourced from PubChem (CID 14525584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).