CID 162338619

C13H19NNa — CID 162338619

IUPAC—
SMILESNC1CCCCC1Cc1ccccc1.[Na]
InChIInChI=1S/C13H19N.Na/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;
InChIKeyVUJABSYWHSHRQL-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.37
Rot. Bonds2

About CID 162338619

CID 162338619 (PubChem CID 162338619) has the molecular formula C13H19NNa and a molecular weight of 212.29 g/mol.

Molecular Properties

Compound NameCID 162338619
PubChem CID162338619
Molecular FormulaC13H19NNa
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name—
SMILESNC1CCCCC1Cc1ccccc1.[Na]
InChIInChI=1S/C13H19N.Na/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;
InChIKeyVUJABSYWHSHRQL-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
CID 82185960
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
CID 11098421
CID 11098421
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
CID 82185949
2-(furan-3-ylmethyl)cyclopentan-1-amine
CID 83173123

Frequently Asked Questions

What is the IUPAC name of CID 162338619?
The IUPAC name of CID 162338619 (CID 162338619) is not available.
What is the SMILES notation for CID 162338619?
The canonical SMILES for CID 162338619 is NC1CCCCC1Cc1ccccc1.[Na].
What is the InChIKey of CID 162338619?
The InChIKey is VUJABSYWHSHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.Na/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;.
What are the key properties of CID 162338619?
CID 162338619 has a molecular weight of 212.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162338619 is sourced from PubChem (CID 162338619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).