CID 59694789

C15H17N — CID 59694789

IUPAC—
SMILES[CH]CCCNCc1cccc2ccccc12
InChIInChI=1S/C15H17N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-10,16H,2-3,11-12H2
InChIKeyPZKHPIFYBIYIGA-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.42
Rot. Bonds5

About CID 59694789

CID 59694789 (PubChem CID 59694789) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol.

Molecular Properties

Compound NameCID 59694789
PubChem CID59694789
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name—
SMILES[CH]CCCNCc1cccc2ccccc12
InChIInChI=1S/C15H17N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-10,16H,2-3,11-12H2
InChIKeyPZKHPIFYBIYIGA-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4720020
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
3-(naphthalen-1-ylmethylamino)propanenitrile
CID 28728133
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744

Frequently Asked Questions

What is the IUPAC name of CID 59694789?
The IUPAC name of CID 59694789 (CID 59694789) is not available.
What is the SMILES notation for CID 59694789?
The canonical SMILES for CID 59694789 is [CH]CCCNCc1cccc2ccccc12.
What is the InChIKey of CID 59694789?
The InChIKey is PZKHPIFYBIYIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-10,16H,2-3,11-12H2.
What are the key properties of CID 59694789?
CID 59694789 has a molecular weight of 211.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694789 is sourced from PubChem (CID 59694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).