(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine

C8H18N2 — CID 130522843

IUPAC(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
SMILESC=CCN(C)C[C@H](N)CC
InChIInChI=1S/C8H18N2/c1-4-6-10(3)7-8(9)5-2/h4,8H,1,5-7,9H2,2-3H3/t8-/m1/s1
InChIKeyMCORJJBDWKFFSI-MRVPVSSYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds5

About (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine

(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine (PubChem CID 130522843) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
PubChem CID130522843
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
SMILESC=CCN(C)C[C@H](N)CC
InChIInChI=1S/C8H18N2/c1-4-6-10(3)7-8(9)5-2/h4,8H,1,5-7,9H2,2-3H3/t8-/m1/s1
InChIKeyMCORJJBDWKFFSI-MRVPVSSYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine
CID 130656147
N,2,4,5-tetramethyl-N-prop-2-enylheptan-1-amine
CID 155010405
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
CID 28596727
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
1-prop-2-enylsulfanylbutan-2-amine
CID 66228457
1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 173390192
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
CID 87364859
N'-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 21122644
N-(2-aminobutyl)-N-ethylformamide
CID 165400260

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine (CID 130522843) is (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine is C=CCN(C)C[C@H](N)CC.
What is the InChIKey of (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine?
The InChIKey is MCORJJBDWKFFSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-10(3)7-8(9)5-2/h4,8H,1,5-7,9H2,2-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine?
(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine is sourced from PubChem (CID 130522843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).