2-[(Z)-prop-1-enyl]iminopropan-1-amine

C6H12N2 — CID 129201436

IUPAC2-[(Z)-prop-1-enyl]iminopropan-1-amine
SMILESC/C=C\N=C(/C)CN
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4H,5,7H2,1-2H3/b4-3-,8-6+
InChIKeySICQLIPJEPJMAG-OONGGIDMSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds2

About 2-[(Z)-prop-1-enyl]iminopropan-1-amine

2-[(Z)-prop-1-enyl]iminopropan-1-amine (PubChem CID 129201436) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]iminopropan-1-amine.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]iminopropan-1-amine
PubChem CID129201436
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-[(Z)-prop-1-enyl]iminopropan-1-amine
SMILESC/C=C\N=C(/C)CN
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4H,5,7H2,1-2H3/b4-3-,8-6+
InChIKeySICQLIPJEPJMAG-OONGGIDMSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Diazaheptatetraene
CID 129782882
propan-2-one N-(buta-1,3-dienyl)imine
CID 129873715
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(Z)-prop-1-enyl]propan-2-imine
CID 54364346
N-isopropylidene-propenylamine
CID 54364347
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
(2E)-N-(Prop-1-en-1-yl)butan-2-imine
CID 71349500
3-Methyliminoprop-1-en-1-amine
CID 72522918
N-[(E)-prop-1-enyl]butan-2-imine
CID 87071406
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 88539325

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]iminopropan-1-amine?
The IUPAC name of 2-[(Z)-prop-1-enyl]iminopropan-1-amine (CID 129201436) is 2-[(Z)-prop-1-enyl]iminopropan-1-amine.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]iminopropan-1-amine?
The canonical SMILES for 2-[(Z)-prop-1-enyl]iminopropan-1-amine is C/C=C\N=C(/C)CN.
What is the InChIKey of 2-[(Z)-prop-1-enyl]iminopropan-1-amine?
The InChIKey is SICQLIPJEPJMAG-OONGGIDMSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4H,5,7H2,1-2H3/b4-3-,8-6+.
What are the key properties of 2-[(Z)-prop-1-enyl]iminopropan-1-amine?
2-[(Z)-prop-1-enyl]iminopropan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]iminopropan-1-amine is sourced from PubChem (CID 129201436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).