(Z)-1-(propylideneamino)prop-1-en-2-amine

C6H12N2 — CID 144543609

IUPAC(Z)-1-(propylideneamino)prop-1-en-2-amine
SMILESCC/C=N/C=C(/C)N
InChIInChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h4-5H,3,7H2,1-2H3/b6-5-,8-4+
InChIKeyLYONVVVAXUCCFW-QNMAEOQASA-N
MW112.18 g/mol
LogP1.29
Rot. Bonds2

About (Z)-1-(propylideneamino)prop-1-en-2-amine

(Z)-1-(propylideneamino)prop-1-en-2-amine (PubChem CID 144543609) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-1-(propylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(propylideneamino)prop-1-en-2-amine
PubChem CID144543609
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-1-(propylideneamino)prop-1-en-2-amine
SMILESCC/C=N/C=C(/C)N
InChIInChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h4-5H,3,7H2,1-2H3/b6-5-,8-4+
InChIKeyLYONVVVAXUCCFW-QNMAEOQASA-N
XLogP1.29
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 ≤ 51.29
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

(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
CID 166698919
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
CID 142002928
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
CID 142458889
(Z)-N,3-dimethyl-1-(propylideneamino)but-1-en-2-amine
CID 169142407
N-[(E)-2-fluorohex-1-enyl]propan-1-imine
CID 137400300
1-[2-[(Z)-prop-1-enyl]iminoethylideneamino]prop-1-en-2-amine
CID 173467114
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
CID 90869246
propylidenethiourea
CID 57195256
buta-1,3-diene;ethane;N-ethenylpropan-1-imine
CID 143326311
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(propylideneamino)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(propylideneamino)prop-1-en-2-amine (CID 144543609) is (Z)-1-(propylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(propylideneamino)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(propylideneamino)prop-1-en-2-amine is CC/C=N/C=C(/C)N.
What is the InChIKey of (Z)-1-(propylideneamino)prop-1-en-2-amine?
The InChIKey is LYONVVVAXUCCFW-QNMAEOQASA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-5-6(2)7/h4-5H,3,7H2,1-2H3/b6-5-,8-4+.
What are the key properties of (Z)-1-(propylideneamino)prop-1-en-2-amine?
(Z)-1-(propylideneamino)prop-1-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(propylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 144543609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).