CID 174625889

C6H17ClN2 — CID 174625889

IUPAC—
SMILESCC(C)NC(C)C.NCl
InChIInChI=1S/C6H15N.ClH2N/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;2H2
InChIKeyNVTDFRRHSRNJHC-UHFFFAOYSA-N
MW152.67 g/mol
LogP1.49
Rot. Bonds2

About CID 174625889

CID 174625889 (PubChem CID 174625889) has the molecular formula C6H17ClN2 and a molecular weight of 152.67 g/mol.

Molecular Properties

Compound NameCID 174625889
PubChem CID174625889
Molecular FormulaC6H17ClN2
Molecular Weight152.67 g/mol
Exact Mass152.11
IUPAC Name—
SMILESCC(C)NC(C)C.NCl
InChIInChI=1S/C6H15N.ClH2N/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;2H2
InChIKeyNVTDFRRHSRNJHC-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174625889?
The IUPAC name of CID 174625889 (CID 174625889) is not available.
What is the SMILES notation for CID 174625889?
The canonical SMILES for CID 174625889 is CC(C)NC(C)C.NCl.
What is the InChIKey of CID 174625889?
The InChIKey is NVTDFRRHSRNJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClH2N/c1-5(2)7-6(3)4;1-2/h5-7H,1-4H3;2H2.
What are the key properties of CID 174625889?
CID 174625889 has a molecular weight of 152.67 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174625889 is sourced from PubChem (CID 174625889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).