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

C6H13N3 — CID 142458889

IUPAC1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
SMILESC/C(N)=C/N=C/C(C)N
InChIInChI=1S/C6H13N3/c1-5(7)3-9-4-6(2)8/h3-5H,7-8H2,1-2H3/b6-4-,9-3+
InChIKeyKQMBLEWYQIIASE-ALQLSLDWSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds2

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

1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine (PubChem CID 142458889) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine.

Molecular Properties

Compound Name1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
PubChem CID142458889
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
SMILESC/C(N)=C/N=C/C(C)N
InChIInChI=1S/C6H13N3/c1-5(7)3-9-4-6(2)8/h3-5H,7-8H2,1-2H3/b6-4-,9-3+
InChIKeyKQMBLEWYQIIASE-ALQLSLDWSA-N
XLogP0.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
1-[2-[(Z)-prop-1-enyl]iminoethylideneamino]prop-1-en-2-amine
CID 173467114
N-[(E)-2,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 155416252
1-[(E)-2-aminopropylideneamino]-1-methylthiourea
CID 142935969
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
(Z)-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]prop-1-en-2-amine
CID 155330670
(Z)-4-methylpent-2-en-2-amine
CID 154483305
(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
(E)-1,3-diaminobut-1-en-1-ol
CID 118411260
(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
2-(hydroxyiminomethyl)-3-oxobutanamide
CID 88515780

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine?
The IUPAC name of 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine (CID 142458889) is 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine.
What is the SMILES notation for 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine?
The canonical SMILES for 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine is C/C(N)=C/N=C/C(C)N.
What is the InChIKey of 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine?
The InChIKey is KQMBLEWYQIIASE-ALQLSLDWSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)3-9-4-6(2)8/h3-5H,7-8H2,1-2H3/b6-4-,9-3+.
What are the key properties of 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine?
1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine is sourced from PubChem (CID 142458889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).