N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine

C9H14N2 — CID 534315

IUPACN-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine
SMILESC=CC=NN(CC=C)CC=C
InChIInChI=1S/C9H14N2/c1-4-7-10-11(8-5-2)9-6-3/h4-7H,1-3,8-9H2
InChIKeyUBWAKKDBDWRUAI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds6

About N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine

N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine (PubChem CID 534315) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine
PubChem CID534315
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine
SMILESC=CC=NN(CC=C)CC=C
InChIInChI=1S/C9H14N2/c1-4-7-10-11(8-5-2)9-6-3/h4-7H,1-3,8-9H2
InChIKeyUBWAKKDBDWRUAI-UHFFFAOYSA-N
XLogP1.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
CID 143604684
N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
CID 146437281
N-amino-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
CID 167227928
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
N,N-dibromoprop-2-en-1-amine
CID 19789972
CID 87527334
CID 87527334
N,N-bis(prop-2-enyl)thiohydroxylamine
CID 87220741
N-(prop-2-enylideneamino)prop-2-en-1-imine
CID 88828746
N-azido-N-prop-2-enylpropan-1-amine
CID 90040470
2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride
CID 174430293
N-(2-chloroethyl)-N-prop-2-enylformamide
CID 54106306

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine (CID 534315) is N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine is C=CC=NN(CC=C)CC=C.
What is the InChIKey of N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine?
The InChIKey is UBWAKKDBDWRUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7-10-11(8-5-2)9-6-3/h4-7H,1-3,8-9H2.
What are the key properties of N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine?
N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine is sourced from PubChem (CID 534315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).