3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine

C10H18N2 — CID 162389547

IUPAC3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine
SMILESC=CN(/C=C\C)C(C)C(=C)NC
InChIInChI=1S/C10H18N2/c1-6-8-12(7-2)10(4)9(3)11-5/h6-8,10-11H,2-3H2,1,4-5H3/b8-6-
InChIKeyZZAWKYNRCNBBRX-VURMDHGXSA-N
MW166.27 g/mol
LogP2.09
Rot. Bonds5

About 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine

3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine (PubChem CID 162389547) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine
PubChem CID162389547
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine
SMILESC=CN(/C=C\C)C(C)C(=C)NC
InChIInChI=1S/C10H18N2/c1-6-8-12(7-2)10(4)9(3)11-5/h6-8,10-11H,2-3H2,1,4-5H3/b8-6-
InChIKeyZZAWKYNRCNBBRX-VURMDHGXSA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N'-dimethyl-1-N'-[(Z)-prop-1-enyl]ethane-1,1-diamine
CID 126633418
1,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 44554794
N,N-bis(ethenyl)propan-2-amine;ethane
CID 171846694
(6Z)-N,4-dimethyl-5-methylidene-N-[(E)-prop-1-enyl]octa-1,6-dien-3-amine
CID 143570235
4-[ethenyl-[(1Z)-3-(methylamino)buta-1,3-dienyl]amino]-2-(1-sulfanylethyl)pentan-1-ol
CID 167158518
N-ethenyl-N-methylprop-1-en-1-amine
CID 72587772
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
1-[1-hydroxyethyl(1-sulfanylprop-2-enyl)amino]ethanol
CID 87499767
1-[bis(1-hydroxyethyl)amino]ethanol;iron
CID 87467389
1-ethenyl-1-methyl-2-[(Z)-4-methylpent-2-en-3-yl]hydrazine
CID 138463436
(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
CID 134267284
N-methyl-N'-[(3E)-penta-1,3-dien-3-yl]-N'-propan-2-ylpropanediamide
CID 143768863

Frequently Asked Questions

What is the IUPAC name of 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine?
The IUPAC name of 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine (CID 162389547) is 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine.
What is the SMILES notation for 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine?
The canonical SMILES for 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine is C=CN(/C=C\C)C(C)C(=C)NC.
What is the InChIKey of 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine?
The InChIKey is ZZAWKYNRCNBBRX-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8-12(7-2)10(4)9(3)11-5/h6-8,10-11H,2-3H2,1,4-5H3/b8-6-.
What are the key properties of 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine?
3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine has a molecular weight of 166.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethenyl-2-N-methyl-3-N-[(Z)-prop-1-enyl]but-1-ene-2,3-diamine is sourced from PubChem (CID 162389547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).