N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine

C12H21N — CID 10866930

IUPACN,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine
SMILESC=CC(=C)CCC(C(=C)C)N(C)C
InChIInChI=1S/C12H21N/c1-7-11(4)8-9-12(10(2)3)13(5)6/h7,12H,1-2,4,8-9H2,3,5-6H3
InChIKeyHPLZBYCQZNUSTG-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds6

About N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine

N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine (PubChem CID 10866930) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine
PubChem CID10866930
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine
SMILESC=CC(=C)CCC(C(=C)C)N(C)C
InChIInChI=1S/C12H21N/c1-7-11(4)8-9-12(10(2)3)13(5)6/h7,12H,1-2,4,8-9H2,3,5-6H3
InChIKeyHPLZBYCQZNUSTG-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
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,2-trimethyl-6-methylideneocta-1,7-dien-3-amine?
The IUPAC name of N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine (CID 10866930) is N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine.
What is the SMILES notation for N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine?
The canonical SMILES for N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine is C=CC(=C)CCC(C(=C)C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine?
The InChIKey is HPLZBYCQZNUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-7-11(4)8-9-12(10(2)3)13(5)6/h7,12H,1-2,4,8-9H2,3,5-6H3.
What are the key properties of N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine?
N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-methylideneocta-1,7-dien-3-amine is sourced from PubChem (CID 10866930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).