CID 138981873

C6H13N2 — CID 138981873

IUPAC—
SMILES[CH2]C/N=C(\C)N(C)C
InChIInChI=1S/C6H13N2/c1-5-7-6(2)8(3)4/h1,5H2,2-4H3/b7-6+
InChIKeyXCUOZCMKQZNSNM-VOTSOKGWSA-N
MW113.18 g/mol
LogP0.80
Rot. Bonds1

About CID 138981873

CID 138981873 (PubChem CID 138981873) has the molecular formula C6H13N2 and a molecular weight of 113.18 g/mol.

Molecular Properties

Compound NameCID 138981873
PubChem CID138981873
Molecular FormulaC6H13N2
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name—
SMILES[CH2]C/N=C(\C)N(C)C
InChIInChI=1S/C6H13N2/c1-5-7-6(2)8(3)4/h1,5H2,2-4H3/b7-6+
InChIKeyXCUOZCMKQZNSNM-VOTSOKGWSA-N
XLogP0.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 138981873?
The IUPAC name of CID 138981873 (CID 138981873) is not available.
What is the SMILES notation for CID 138981873?
The canonical SMILES for CID 138981873 is [CH2]C/N=C(\C)N(C)C.
What is the InChIKey of CID 138981873?
The InChIKey is XCUOZCMKQZNSNM-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13N2/c1-5-7-6(2)8(3)4/h1,5H2,2-4H3/b7-6+.
What are the key properties of CID 138981873?
CID 138981873 has a molecular weight of 113.18 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138981873 is sourced from PubChem (CID 138981873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).