3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine

C12H28N2 — CID 115346552

IUPAC3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
SMILESCCCCCC(CCN(C)C)NCC
InChIInChI=1S/C12H28N2/c1-5-7-8-9-12(13-6-2)10-11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyUQCCUKAYHWTLBQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine

3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine (PubChem CID 115346552) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
PubChem CID115346552
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
SMILESCCCCCC(CCN(C)C)NCC
InChIInChI=1S/C12H28N2/c1-5-7-8-9-12(13-6-2)10-11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyUQCCUKAYHWTLBQ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
N-ethylhexadecan-4-amine
CID 63413885
2-N-ethyl-1-N,1-N-dimethylhexane-1,2-diamine
CID 79092726
N-ethylnonan-3-amine
CID 60996683
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)nonan-1-ol
CID 61050713
1,1-dimethyl-2-undecan-6-ylhydrazine
CID 83005023

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine (CID 115346552) is 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine is CCCCCC(CCN(C)C)NCC.
What is the InChIKey of 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine?
The InChIKey is UQCCUKAYHWTLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-8-9-12(13-6-2)10-11-14(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine?
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine is sourced from PubChem (CID 115346552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).