N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine

C16H24N4 — CID 126733438

IUPACN-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine
SMILESC=N/C(=C(/CC)N(N)C1CCN(C)C1)c1ccccc1
InChIInChI=1S/C16H24N4/c1-4-15(20(17)14-10-11-19(3)12-14)16(18-2)13-8-6-5-7-9-13/h5-9,14H,2,4,10-12,17H2,1,3H3/b16-15-
InChIKeyLSJIKOXPNWCNNE-NXVVXOECSA-N
MW272.40 g/mol
LogP2.35
Rot. Bonds5

About N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine

N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine (PubChem CID 126733438) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine
PubChem CID126733438
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine
SMILESC=N/C(=C(/CC)N(N)C1CCN(C)C1)c1ccccc1
InChIInChI=1S/C16H24N4/c1-4-15(20(17)14-10-11-19(3)12-14)16(18-2)13-8-6-5-7-9-13/h5-9,14H,2,4,10-12,17H2,1,3H3/b16-15-
InChIKeyLSJIKOXPNWCNNE-NXVVXOECSA-N
XLogP2.35
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine (CID 126733438) is N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine is C=N/C(=C(/CC)N(N)C1CCN(C)C1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine?
The InChIKey is LSJIKOXPNWCNNE-NXVVXOECSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-15(20(17)14-10-11-19(3)12-14)16(18-2)13-8-6-5-7-9-13/h5-9,14H,2,4,10-12,17H2,1,3H3/b16-15-.
What are the key properties of N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine?
N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine has a molecular weight of 272.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[amino-(1-methylpyrrolidin-3-yl)amino]-1-phenylbut-1-enyl]methanimine is sourced from PubChem (CID 126733438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).