N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine

C10H21N3 — CID 123984446

IUPACN-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine
SMILESCC/N=C/C(CCN(C)CC)=N\C
InChIInChI=1S/C10H21N3/c1-5-12-9-10(11-3)7-8-13(4)6-2/h9H,5-8H2,1-4H3/b11-10-,12-9+
InChIKeyHHSNNKCZLQHEMY-YPOAXGCUSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds6

About N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine

N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine (PubChem CID 123984446) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine
PubChem CID123984446
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine
SMILESCC/N=C/C(CCN(C)CC)=N\C
InChIInChI=1S/C10H21N3/c1-5-12-9-10(11-3)7-8-13(4)6-2/h9H,5-8H2,1-4H3/b11-10-,12-9+
InChIKeyHHSNNKCZLQHEMY-YPOAXGCUSA-N
XLogP1.49
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 123799783
N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 156729528
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
N,N'-diethyl-N-methylmethanimidamide
CID 88937103
3-N,4-N-diethyl-1-N,2-N-dimethylbutane-1,2,3,4-tetraimine
CID 91410286
1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111151966
N-ethyl-2-isothiocyanato-N-methylethanamine
CID 62640150
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
CID 146199675
1-N-ethyl-2-N-pentylbutane-1,2-diimine
CID 91053831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine?
The IUPAC name of N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine (CID 123984446) is N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine?
The canonical SMILES for N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine is CC/N=C/C(CCN(C)CC)=N\C.
What is the InChIKey of N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine?
The InChIKey is HHSNNKCZLQHEMY-YPOAXGCUSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-12-9-10(11-3)7-8-13(4)6-2/h9H,5-8H2,1-4H3/b11-10-,12-9+.
What are the key properties of N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine?
N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylimino-N-methyl-3-methyliminobutan-1-amine is sourced from PubChem (CID 123984446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).