2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride

C19H33ClN4O — CID 131880282

IUPAC2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
SMILESCCCCCCCCCCOc1ccc(C(C)=NN=C(N)N)cc1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-3-4-5-6-7-8-9-10-15-24-18-13-11-17(12-14-18)16(2)22-23-19(20)21;/h11-14H,3-10,15H2,1-2H3,(H4,20,21,23);1H
InChIKeyDATOQIUUSVWCKA-UHFFFAOYSA-N
MW368.95 g/mol
LogP4.63
Rot. Bonds12

About 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride

2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride (PubChem CID 131880282) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
PubChem CID131880282
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC Name2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
SMILESCCCCCCCCCCOc1ccc(C(C)=NN=C(N)N)cc1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-3-4-5-6-7-8-9-10-15-24-18-13-11-17(12-14-18)16(2)22-23-19(20)21;/h11-14H,3-10,15H2,1-2H3,(H4,20,21,23);1H
InChIKeyDATOQIUUSVWCKA-UHFFFAOYSA-N
XLogP4.63
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-(4-heptylphenyl)ethylideneamino]guanidine
CID 90836565
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
CID 9120798
1,4-dipentoxybenzene
CID 18314717
4-octoxybenzenecarboximidamide
CID 3302492
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-octoxybenzoate
CID 43835949
[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(Z)-1-(4-fluorophenyl)ethylideneamino]carbamimidothioate
CID 27273132
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride (CID 131880282) is 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride is CCCCCCCCCCOc1ccc(C(C)=NN=C(N)N)cc1.Cl.
What is the InChIKey of 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is DATOQIUUSVWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.ClH/c1-3-4-5-6-7-8-9-10-15-24-18-13-11-17(12-14-18)16(2)22-23-19(20)21;/h11-14H,3-10,15H2,1-2H3,(H4,20,21,23);1H.
What are the key properties of 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride?
2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 4.63, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 131880282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).