CID 159237160

C4H11NNa — CID 159237160

IUPAC—
SMILESCCCCN.[Na]
InChIInChI=1S/C4H11N.Na/c1-2-3-4-5;/h2-5H2,1H3;
InChIKeyKTPVOMAPKYCYEB-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.36
Rot. Bonds2

About CID 159237160

CID 159237160 (PubChem CID 159237160) has the molecular formula C4H11NNa and a molecular weight of 96.13 g/mol.

Molecular Properties

Compound NameCID 159237160
PubChem CID159237160
Molecular FormulaC4H11NNa
Molecular Weight96.13 g/mol
Exact Mass96.08
IUPAC Name—
SMILESCCCCN.[Na]
InChIInChI=1S/C4H11N.Na/c1-2-3-4-5;/h2-5H2,1H3;
InChIKeyKTPVOMAPKYCYEB-UHFFFAOYSA-N
XLogP0.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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butane-1,4-diamine;hexan-1-amine
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CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
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butan-1-amine;prop-1-ene
CID 87407220

Frequently Asked Questions

What is the IUPAC name of CID 159237160?
The IUPAC name of CID 159237160 (CID 159237160) is not available.
What is the SMILES notation for CID 159237160?
The canonical SMILES for CID 159237160 is CCCCN.[Na].
What is the InChIKey of CID 159237160?
The InChIKey is KTPVOMAPKYCYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Na/c1-2-3-4-5;/h2-5H2,1H3;.
What are the key properties of CID 159237160?
CID 159237160 has a molecular weight of 96.13 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159237160 is sourced from PubChem (CID 159237160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).