[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium

C18H23N4+ — CID 140688166

IUPAC[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
SMILES[H]/N=C(\N)Cc1ccc(CCc2ccc(CC(N)=[NH2+])cc2)cc1
InChIInChI=1S/C18H22N4/c19-17(20)11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)/p+1
InChIKeyYOMBTQBWIHFELL-UHFFFAOYSA-O
MW295.41 g/mol
LogP0.61
Rot. Bonds7

About [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium

[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium (PubChem CID 140688166) has the molecular formula C18H23N4+ and a molecular weight of 295.41 g/mol. Its IUPAC name is [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
PubChem CID140688166
Molecular FormulaC18H23N4+
Molecular Weight295.41 g/mol
Exact Mass295.19
IUPAC Name[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
SMILES[H]/N=C(\N)Cc1ccc(CCc2ccc(CC(N)=[NH2+])cc2)cc1
InChIInChI=1S/C18H22N4/c19-17(20)11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)/p+1
InChIKeyYOMBTQBWIHFELL-UHFFFAOYSA-O
XLogP0.61
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-pyridin-4-ylethanimidamide
CID 5078674
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
[1-amino-2-(4-iodophenyl)ethylidene]azanium
CID 6347130
(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium?
The IUPAC name of [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium (CID 140688166) is [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium.
What is the SMILES notation for [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium?
The canonical SMILES for [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium is [H]/N=C(\N)Cc1ccc(CCc2ccc(CC(N)=[NH2+])cc2)cc1.
What is the InChIKey of [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium?
The InChIKey is YOMBTQBWIHFELL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4/c19-17(20)11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)/p+1.
What are the key properties of [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium?
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium has a molecular weight of 295.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium is sourced from PubChem (CID 140688166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).