2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile

C10H17FN2 — CID 131084255

IUPAC2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile
SMILESCN(CC#N)CC1(F)CCCCC1
InChIInChI=1S/C10H17FN2/c1-13(8-7-12)9-10(11)5-3-2-4-6-10/h2-6,8-9H2,1H3
InChIKeyMUBLKURRAAAZCE-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.11
Rot. Bonds3

About 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile

2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile (PubChem CID 131084255) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile
PubChem CID131084255
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile
SMILESCN(CC#N)CC1(F)CCCCC1
InChIInChI=1S/C10H17FN2/c1-13(8-7-12)9-10(11)5-3-2-4-6-10/h2-6,8-9H2,1H3
InChIKeyMUBLKURRAAAZCE-UHFFFAOYSA-N
XLogP2.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile?
The IUPAC name of 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile (CID 131084255) is 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile?
The canonical SMILES for 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile is CN(CC#N)CC1(F)CCCCC1.
What is the InChIKey of 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile?
The InChIKey is MUBLKURRAAAZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-13(8-7-12)9-10(11)5-3-2-4-6-10/h2-6,8-9H2,1H3.
What are the key properties of 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile?
2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile has a molecular weight of 184.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile is sourced from PubChem (CID 131084255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).