CID 14345037

C6H16BN2 — CID 14345037

IUPAC—
SMILESCCCN[B]NCCC
InChIInChI=1S/C6H16BN2/c1-3-5-8-7-9-6-4-2/h8-9H,3-6H2,1-2H3
InChIKeyYUWCNPGWIWGFQR-UHFFFAOYSA-N
MW127.02 g/mol
LogP0.52
Rot. Bonds6

About CID 14345037

CID 14345037 (PubChem CID 14345037) has the molecular formula C6H16BN2 and a molecular weight of 127.02 g/mol.

Molecular Properties

Compound NameCID 14345037
PubChem CID14345037
Molecular FormulaC6H16BN2
Molecular Weight127.02 g/mol
Exact Mass127.14
IUPAC Name—
SMILESCCCN[B]NCCC
InChIInChI=1S/C6H16BN2/c1-3-5-8-7-9-6-4-2/h8-9H,3-6H2,1-2H3
InChIKeyYUWCNPGWIWGFQR-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.02
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(phosphanylmethyl)propan-1-amine
CID 90382307
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-ethylpropan-1-amine;methanethiol;propane
CID 143432965
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401
N-(2-phosphanylethyl)propan-1-amine
CID 58997739
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
ethane;N-ethylpropan-1-amine;molecular hydrogen
CID 153336858
2-(propylamino)acetamide
CID 15839438
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
N-propylthiohydroxylamine;hydrochloride
CID 174939043

Frequently Asked Questions

What is the IUPAC name of CID 14345037?
The IUPAC name of CID 14345037 (CID 14345037) is not available.
What is the SMILES notation for CID 14345037?
The canonical SMILES for CID 14345037 is CCCN[B]NCCC.
What is the InChIKey of CID 14345037?
The InChIKey is YUWCNPGWIWGFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16BN2/c1-3-5-8-7-9-6-4-2/h8-9H,3-6H2,1-2H3.
What are the key properties of CID 14345037?
CID 14345037 has a molecular weight of 127.02 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14345037 is sourced from PubChem (CID 14345037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).