CID 140622426

C15H25N2 — CID 140622426

IUPAC—
SMILES[CH2]C(C)(C)c1cccc(CNCCN(C)C)c1
InChIInChI=1S/C15H25N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,1,9-10,12H2,2-5H3
InChIKeyOYSPOEBYHINULO-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.45
Rot. Bonds6

About CID 140622426

CID 140622426 (PubChem CID 140622426) has the molecular formula C15H25N2 and a molecular weight of 233.38 g/mol.

Molecular Properties

Compound NameCID 140622426
PubChem CID140622426
Molecular FormulaC15H25N2
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name—
SMILES[CH2]C(C)(C)c1cccc(CNCCN(C)C)c1
InChIInChI=1S/C15H25N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,1,9-10,12H2,2-5H3
InChIKeyOYSPOEBYHINULO-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 59788958
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
(E)-but-2-ene;ethane;N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 143170155
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[[3-[5-[3-(dimethylamino)propylamino]pentyl]phenyl]methyl]-N',N'-dimethylheptane-1,7-diamine
CID 146687225
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792

Frequently Asked Questions

What is the IUPAC name of CID 140622426?
The IUPAC name of CID 140622426 (CID 140622426) is not available.
What is the SMILES notation for CID 140622426?
The canonical SMILES for CID 140622426 is [CH2]C(C)(C)c1cccc(CNCCN(C)C)c1.
What is the InChIKey of CID 140622426?
The InChIKey is OYSPOEBYHINULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2/c1-15(2,3)14-8-6-7-13(11-14)12-16-9-10-17(4)5/h6-8,11,16H,1,9-10,12H2,2-5H3.
What are the key properties of CID 140622426?
CID 140622426 has a molecular weight of 233.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140622426 is sourced from PubChem (CID 140622426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).