(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine

C11H21N — CID 163733373

IUPAC(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine
SMILESC=C(CCC/C=C\C)N(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10-11(3)12(4)6-2/h5,7H,3,6,8-10H2,1-2,4H3/b7-5-
InChIKeyLBNKUOZVODZGCK-ALCCZGGFSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds6

About (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine

(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine (PubChem CID 163733373) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine.

Molecular Properties

Compound Name(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine
PubChem CID163733373
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine
SMILESC=C(CCC/C=C\C)N(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10-11(3)12(4)6-2/h5,7H,3,6,8-10H2,1-2,4H3/b7-5-
InChIKeyLBNKUOZVODZGCK-ALCCZGGFSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nona-1,7-dien-2-ol
CID 172729481
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
hept-2-ene;methanol
CID 135236025
(7E)-2-methylnona-1,7-diene
CID 23197153
4-ethylidenedeca-2,8-diene
CID 91588113
5-methylideneundeca-2,6-diene
CID 57074948
8-methylidenedeca-2,6-diene
CID 123418054
non-7-en-3-one
CID 56994302
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
(Z)-oct-2-ene
CID 5356796
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
(E)-hept-5-enamide
CID 18415105

Frequently Asked Questions

What is the IUPAC name of (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine?
The IUPAC name of (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine (CID 163733373) is (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine.
What is the SMILES notation for (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine?
The canonical SMILES for (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine is C=C(CCC/C=C\C)N(C)CC.
What is the InChIKey of (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine?
The InChIKey is LBNKUOZVODZGCK-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-9-10-11(3)12(4)6-2/h5,7H,3,6,8-10H2,1-2,4H3/b7-5-.
What are the key properties of (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine?
(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine is sourced from PubChem (CID 163733373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).