N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine

C14H18N2 — CID 177445849

IUPACN-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine
SMILESC/C(=N\N(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)15-16(13-7-8-13)14-9-10-14/h2-6,13-14H,7-10H2,1H3/b15-11+
InChIKeyZKTOVQYBKMSTQI-RVDMUPIBSA-N
MW214.31 g/mol
LogP3.04
Rot. Bonds4

About N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine

N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine (PubChem CID 177445849) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine
PubChem CID177445849
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine
SMILESC/C(=N\N(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)15-16(13-7-8-13)14-9-10-14/h2-6,13-14H,7-10H2,1H3/b15-11+
InChIKeyZKTOVQYBKMSTQI-RVDMUPIBSA-N
XLogP3.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(benzhydrylideneamino)-methylamino]-N-(1-phenylethylideneamino)methanamine
CID 91258409
2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
CID 6536929
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-cyclopropyl-N-ethylbenzenecarboximidamide
CID 63176198
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
CID 71404149
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
CID 127025281
CID 127025281

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine?
The IUPAC name of N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine (CID 177445849) is N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine.
What is the SMILES notation for N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine?
The canonical SMILES for N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine is C/C(=N\N(C1CC1)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine?
The InChIKey is ZKTOVQYBKMSTQI-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)15-16(13-7-8-13)14-9-10-14/h2-6,13-14H,7-10H2,1H3/b15-11+.
What are the key properties of N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine?
N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine has a molecular weight of 214.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine is sourced from PubChem (CID 177445849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).