(E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine

C14H29N — CID 6365440

IUPAC(E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)CCCC(C)C
InChIInChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h11,13H,6-10,12H2,1-5H3/b14-11+
InChIKeySWXVCCTXGINQIB-SDNWHVSQSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds8

About (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine

(E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine (PubChem CID 6365440) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine
PubChem CID6365440
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)CCCC(C)C
InChIInChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h11,13H,6-10,12H2,1-5H3/b14-11+
InChIKeySWXVCCTXGINQIB-SDNWHVSQSA-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 (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine (CID 6365440) is (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine is CCN(CC)C/C=C(\C)CCCC(C)C.
What is the InChIKey of (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine?
The InChIKey is SWXVCCTXGINQIB-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h11,13H,6-10,12H2,1-5H3/b14-11+.
What are the key properties of (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine?
(E)-N,N-diethyl-3,7-dimethyloct-2-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 (E)-N,N-diethyl-3,7-dimethyloct-2-en-1-amine is sourced from PubChem (CID 6365440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).