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

C6H14N2 — CID 123414251

IUPAC2-N,2-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h5H,2,7H2,1,3-4H3
InChIKeyINSHMIQVRPZWCI-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.41
Rot. Bonds2

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

2-N,2-N-dimethylbut-1-ene-2,3-diamine (PubChem CID 123414251) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-N,2-N-dimethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethylbut-1-ene-2,3-diamine
PubChem CID123414251
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-N,2-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(C(C)N)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h5H,2,7H2,1,3-4H3
InChIKeyINSHMIQVRPZWCI-UHFFFAOYSA-N
XLogP0.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-but-1-ene-2,3-diamine
CID 142167658
2-N,2-N-diethylbut-1-ene-2,3-diamine
CID 174478931
3-amino-N,N-dimethyl-2-methylidenebutanamide
CID 87194380
(2S)-2-amino-N-(3-amino-3-oxoprop-1-en-2-yl)-N-[(2S)-2-aminopropanoyl]propanamide
CID 87092008
3-N,3-N-dimethylbut-1-ene-2,3-diamine
CID 89045153
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
3-ethyl-N,N,4-trimethylpent-1-en-2-amine
CID 139427146
(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
2-methylpropane;prop-1-en-2-amine
CID 174893746
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
3-N,3-N,4-trimethylpent-1-ene-2,3-diamine
CID 156737008

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethylbut-1-ene-2,3-diamine (CID 123414251) is 2-N,2-N-dimethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethylbut-1-ene-2,3-diamine is C=C(C(C)N)N(C)C.
What is the InChIKey of 2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The InChIKey is INSHMIQVRPZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h5H,2,7H2,1,3-4H3.
What are the key properties of 2-N,2-N-dimethylbut-1-ene-2,3-diamine?
2-N,2-N-dimethylbut-1-ene-2,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 123414251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).