N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine

C14H30N2 — CID 139491783

IUPACN-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine
SMILESCCNCN(C)CC(C)C=CC(CC)CC
InChIInChI=1S/C14H30N2/c1-6-14(7-2)10-9-13(4)11-16(5)12-15-8-3/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyIPYAWVIWYYYOGU-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.11
Rot. Bonds9

About N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine

N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine (PubChem CID 139491783) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine
PubChem CID139491783
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine
SMILESCCNCN(C)CC(C)C=CC(CC)CC
InChIInChI=1S/C14H30N2/c1-6-14(7-2)10-9-13(4)11-16(5)12-15-8-3/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyIPYAWVIWYYYOGU-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine?
The IUPAC name of N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine (CID 139491783) is N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine.
What is the SMILES notation for N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine?
The canonical SMILES for N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine is CCNCN(C)CC(C)C=CC(CC)CC.
What is the InChIKey of N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine?
The InChIKey is IPYAWVIWYYYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(7-2)10-9-13(4)11-16(5)12-15-8-3/h9-10,13-15H,6-8,11-12H2,1-5H3.
What are the key properties of N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine?
N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine has a molecular weight of 226.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-ethyl-2-methylhept-3-enyl)-N'-methylmethanediamine is sourced from PubChem (CID 139491783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).