2-N,2-N-diethylbut-1-ene-2,3-diamine

C8H18N2 — CID 174478931

IUPAC2-N,2-N-diethylbut-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(CC)CC
InChIInChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h7H,4-6,9H2,1-3H3
InChIKeyPDSAQDCAMCVSAT-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.19
Rot. Bonds4

About 2-N,2-N-diethylbut-1-ene-2,3-diamine

2-N,2-N-diethylbut-1-ene-2,3-diamine (PubChem CID 174478931) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-N,2-N-diethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethylbut-1-ene-2,3-diamine
PubChem CID174478931
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-N,2-N-diethylbut-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(CC)CC
InChIInChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h7H,4-6,9H2,1-3H3
InChIKeyPDSAQDCAMCVSAT-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123414251
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
(3R)-but-1-ene-2,3-diamine
CID 142167658
2,5-dimethylhex-5-en-3-amine
CID 79177176

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethylbut-1-ene-2,3-diamine?
The IUPAC name of 2-N,2-N-diethylbut-1-ene-2,3-diamine (CID 174478931) is 2-N,2-N-diethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethylbut-1-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethylbut-1-ene-2,3-diamine is C=C(C(C)N)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethylbut-1-ene-2,3-diamine?
The InChIKey is PDSAQDCAMCVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-10(6-2)8(4)7(3)9/h7H,4-6,9H2,1-3H3.
What are the key properties of 2-N,2-N-diethylbut-1-ene-2,3-diamine?
2-N,2-N-diethylbut-1-ene-2,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 174478931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).