N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine

C14H25N — CID 137331626

IUPACN,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine
SMILESC=CC(=C)CCC=C(C)CN(CC)CC
InChIInChI=1S/C14H25N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11H,1,4,7-10,12H2,2-3,5H3
InChIKeyXMBRYNDHWHAEFQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.80
Rot. Bonds8

About N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine

N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine (PubChem CID 137331626) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine
PubChem CID137331626
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine
SMILESC=CC(=C)CCC=C(C)CN(CC)CC
InChIInChI=1S/C14H25N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11H,1,4,7-10,12H2,2-3,5H3
InChIKeyXMBRYNDHWHAEFQ-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine?
The IUPAC name of N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine (CID 137331626) is N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine.
What is the SMILES notation for N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine?
The canonical SMILES for N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine is C=CC(=C)CCC=C(C)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine?
The InChIKey is XMBRYNDHWHAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-13(4)10-9-11-14(5)12-15(7-2)8-3/h6,11H,1,4,7-10,12H2,2-3,5H3.
What are the key properties of N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine?
N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-6-methylideneocta-2,7-dien-1-amine is sourced from PubChem (CID 137331626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).