prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine

C8H19N3 — CID 143837437

IUPACprop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine
SMILESC=C(NC)N(C)C.C=CCN
InChIInChI=1S/C5H12N2.C3H7N/c1-5(6-2)7(3)4;1-2-3-4/h6H,1H2,2-4H3;2H,1,3-4H2
InChIKeyBZEGGOWTYUWKFK-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.37
Rot. Bonds3

About prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine

prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine (PubChem CID 143837437) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine.

Molecular Properties

Compound Nameprop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine
PubChem CID143837437
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Nameprop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine
SMILESC=C(NC)N(C)C.C=CCN
InChIInChI=1S/C5H12N2.C3H7N/c1-5(6-2)7(3)4;1-2-3-4/h6H,1H2,2-4H3;2H,1,3-4H2
InChIKeyBZEGGOWTYUWKFK-UHFFFAOYSA-N
XLogP0.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyltetrahydropyrimidin
CID 22257007
Methyltetrahydropyrimidinamin
CID 129646687
(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile
CID 134923687
3-methyl-2,4-dihydro-1H-pyrimidine
CID 19759617
1-N',1-N'-dimethyl-1-N-prop-2-enylpropane-1,1-diamine
CID 20217139
N-Allyl-N',N'-Diethylethanediamine
CID 20225322
N,N-dimethyl-3-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)propan-1-amine
CID 20264105
3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine
CID 21486752
3-tert-butyl-2,6-dihydro-1H-pyrimidine
CID 21572005
3-methyl-2,6-dihydro-1H-pyrimidine
CID 22722381
1-N,1-N'-bis(prop-2-enyl)ethene-1,1-diamine
CID 22926394
1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine
CID 22926430

Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine?
The IUPAC name of prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine (CID 143837437) is prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine.
What is the SMILES notation for prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine?
The canonical SMILES for prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine is C=C(NC)N(C)C.C=CCN.
What is the InChIKey of prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine?
The InChIKey is BZEGGOWTYUWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C3H7N/c1-5(6-2)7(3)4;1-2-3-4/h6H,1H2,2-4H3;2H,1,3-4H2.
What are the key properties of prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine?
prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine has a molecular weight of 157.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine is sourced from PubChem (CID 143837437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).