2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine

C19H23N5O — CID 178024650

IUPAC2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine
SMILESCC1CC1(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N5O/c1-13-11-19(13,22)17(23-24-18(20)21)15-7-9-16(10-8-15)25-12-14-5-3-2-4-6-14/h2-10,13H,11-12,22H2,1H3,(H4,20,21,24)/b23-17-
InChIKeySMRHXQGXOHPFIE-QJOMJCCJSA-N
MW337.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine

2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine (PubChem CID 178024650) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine
PubChem CID178024650
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine
SMILESCC1CC1(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N5O/c1-13-11-19(13,22)17(23-24-18(20)21)15-7-9-16(10-8-15)25-12-14-5-3-2-4-6-14/h2-10,13H,11-12,22H2,1H3,(H4,20,21,24)/b23-17-
InChIKeySMRHXQGXOHPFIE-QJOMJCCJSA-N
XLogP1.98
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
CID 178024710
nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
CID 45049782
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
4-phenylmethoxy-N'-propylbenzenecarboximidamide
CID 57153315
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
(1E)-N-(diaminomethylideneamino)-3-phenylmethoxybenzenecarboximidoyl cyanide
CID 123660195
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
4-phenylmethoxybenzoic acid
CID 68896574
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine (CID 178024650) is 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine is CC1CC1(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine?
The InChIKey is SMRHXQGXOHPFIE-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-11-19(13,22)17(23-24-18(20)21)15-7-9-16(10-8-15)25-12-14-5-3-2-4-6-14/h2-10,13H,11-12,22H2,1H3,(H4,20,21,24)/b23-17-.
What are the key properties of 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine?
2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine has a molecular weight of 337.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine is sourced from PubChem (CID 178024650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).