(4-hexoxyphenyl)methyl-methanidyl-methylazanium

C15H25NO — CID 59280756

IUPAC(4-hexoxyphenyl)methyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)Cc1ccc(OCCCCCC)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-12-17-15-10-8-14(9-11-15)13-16(2)3/h8-11,16H,2,4-7,12-13H2,1,3H3
InChIKeyQDWOKMOIPIBNSU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.45
Rot. Bonds8

About (4-hexoxyphenyl)methyl-methanidyl-methylazanium

(4-hexoxyphenyl)methyl-methanidyl-methylazanium (PubChem CID 59280756) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (4-hexoxyphenyl)methyl-methanidyl-methylazanium.

Molecular Properties

Compound Name(4-hexoxyphenyl)methyl-methanidyl-methylazanium
PubChem CID59280756
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(4-hexoxyphenyl)methyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)Cc1ccc(OCCCCCC)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-12-17-15-10-8-14(9-11-15)13-16(2)3/h8-11,16H,2,4-7,12-13H2,1,3H3
InChIKeyQDWOKMOIPIBNSU-UHFFFAOYSA-N
XLogP2.45
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
N-[(4-nonoxyphenyl)methoxy]methanamine
CID 22967514
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
(4-decoxyphenyl)methanamine
CID 55187501
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-decoxy-4-(2-methylpropyl)benzene
CID 58996843
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of (4-hexoxyphenyl)methyl-methanidyl-methylazanium?
The IUPAC name of (4-hexoxyphenyl)methyl-methanidyl-methylazanium (CID 59280756) is (4-hexoxyphenyl)methyl-methanidyl-methylazanium.
What is the SMILES notation for (4-hexoxyphenyl)methyl-methanidyl-methylazanium?
The canonical SMILES for (4-hexoxyphenyl)methyl-methanidyl-methylazanium is [CH2-][NH+](C)Cc1ccc(OCCCCCC)cc1.
What is the InChIKey of (4-hexoxyphenyl)methyl-methanidyl-methylazanium?
The InChIKey is QDWOKMOIPIBNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-12-17-15-10-8-14(9-11-15)13-16(2)3/h8-11,16H,2,4-7,12-13H2,1,3H3.
What are the key properties of (4-hexoxyphenyl)methyl-methanidyl-methylazanium?
(4-hexoxyphenyl)methyl-methanidyl-methylazanium has a molecular weight of 235.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxyphenyl)methyl-methanidyl-methylazanium is sourced from PubChem (CID 59280756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).