N-ethyl-N-methylocta-3,7-dien-3-amine

C11H21N — CID 90710947

IUPACN-ethyl-N-methylocta-3,7-dien-3-amine
SMILESC=CCCC=C(CC)N(C)CC
InChIInChI=1S/C11H21N/c1-5-8-9-10-11(6-2)12(4)7-3/h5,10H,1,6-9H2,2-4H3
InChIKeyCIHVDYBQYFUMOX-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-N-methylocta-3,7-dien-3-amine

N-ethyl-N-methylocta-3,7-dien-3-amine (PubChem CID 90710947) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-ethyl-N-methylocta-3,7-dien-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methylocta-3,7-dien-3-amine
PubChem CID90710947
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-ethyl-N-methylocta-3,7-dien-3-amine
SMILESC=CCCC=C(CC)N(C)CC
InChIInChI=1S/C11H21N/c1-5-8-9-10-11(6-2)12(4)7-3/h5,10H,1,6-9H2,2-4H3
InChIKeyCIHVDYBQYFUMOX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylocta-3,7-dien-3-amine?
The IUPAC name of N-ethyl-N-methylocta-3,7-dien-3-amine (CID 90710947) is N-ethyl-N-methylocta-3,7-dien-3-amine.
What is the SMILES notation for N-ethyl-N-methylocta-3,7-dien-3-amine?
The canonical SMILES for N-ethyl-N-methylocta-3,7-dien-3-amine is C=CCCC=C(CC)N(C)CC.
What is the InChIKey of N-ethyl-N-methylocta-3,7-dien-3-amine?
The InChIKey is CIHVDYBQYFUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-9-10-11(6-2)12(4)7-3/h5,10H,1,6-9H2,2-4H3.
What are the key properties of N-ethyl-N-methylocta-3,7-dien-3-amine?
N-ethyl-N-methylocta-3,7-dien-3-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 N-ethyl-N-methylocta-3,7-dien-3-amine is sourced from PubChem (CID 90710947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).