1-(diethylamino)pentylidene-diethylazanium

C13H29N2+ — CID 23311450

IUPAC1-(diethylamino)pentylidene-diethylazanium
SMILESCCCCC(N(CC)CC)=[N+](CC)CC
InChIInChI=1S/C13H29N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6-12H2,1-5H3/q+1
InChIKeyCDCGEMBFZBBBQC-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.97
Rot. Bonds7

About 1-(diethylamino)pentylidene-diethylazanium

1-(diethylamino)pentylidene-diethylazanium (PubChem CID 23311450) has the molecular formula C13H29N2+ and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-(diethylamino)pentylidene-diethylazanium.

Molecular Properties

Compound Name1-(diethylamino)pentylidene-diethylazanium
PubChem CID23311450
Molecular FormulaC13H29N2+
Molecular Weight213.39 g/mol
Exact Mass213.23
IUPAC Name1-(diethylamino)pentylidene-diethylazanium
SMILESCCCCC(N(CC)CC)=[N+](CC)CC
InChIInChI=1S/C13H29N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6-12H2,1-5H3/q+1
InChIKeyCDCGEMBFZBBBQC-UHFFFAOYSA-N
XLogP2.97
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)butylidene-diethylazanium
CID 23311443
N,N-diethylhex-1-en-2-amine
CID 161216399
N-butyl-N-ethylpentanamide
CID 4629847
bis(bis(diethylamino)methylidene-diethylazanium);guanidine;dichloride
CID 161367354
hex-1-en-2-yl N,N-diethylcarbamate
CID 121217462
2-methylhex-1-ene
CID 158402499
3-(diethylamino)-2-methylhenicos-2-enoic acid
CID 173010422
bis(diethylamino)methylidene-bis(2-ethylhexyl)azanium
CID 118374716
3-methylhept-2-en-2-ol
CID 73309482
(2Z)-2-(1-hydroxyethylidene)hexanoic acid
CID 54715870
N,N-bis(hydroxymethyl)pentanamide
CID 88793497
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
CID 115570265

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)pentylidene-diethylazanium?
The IUPAC name of 1-(diethylamino)pentylidene-diethylazanium (CID 23311450) is 1-(diethylamino)pentylidene-diethylazanium.
What is the SMILES notation for 1-(diethylamino)pentylidene-diethylazanium?
The canonical SMILES for 1-(diethylamino)pentylidene-diethylazanium is CCCCC(N(CC)CC)=[N+](CC)CC.
What is the InChIKey of 1-(diethylamino)pentylidene-diethylazanium?
The InChIKey is CDCGEMBFZBBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6-12H2,1-5H3/q+1.
What are the key properties of 1-(diethylamino)pentylidene-diethylazanium?
1-(diethylamino)pentylidene-diethylazanium has a molecular weight of 213.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)pentylidene-diethylazanium is sourced from PubChem (CID 23311450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).