2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile

C15H26N2O — CID 83033259

IUPAC2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCC1(CC)CC(NCC2(CC#N)CC2)CCO1
InChIInChI=1S/C15H26N2O/c1-3-15(4-2)11-13(5-10-18-15)17-12-14(6-7-14)8-9-16/h13,17H,3-8,10-12H2,1-2H3
InChIKeyBRHFMGJVIFBJQP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 83033259) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID83033259
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCC1(CC)CC(NCC2(CC#N)CC2)CCO1
InChIInChI=1S/C15H26N2O/c1-3-15(4-2)11-13(5-10-18-15)17-12-14(6-7-14)8-9-16/h13,17H,3-8,10-12H2,1-2H3
InChIKeyBRHFMGJVIFBJQP-UHFFFAOYSA-N
XLogP3.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65495614
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
5-[[(2,2-diethyloxan-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 82760308
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide
CID 83029367

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile (CID 83033259) is 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile is CCC1(CC)CC(NCC2(CC#N)CC2)CCO1.
What is the InChIKey of 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is BRHFMGJVIFBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-15(4-2)11-13(5-10-18-15)17-12-14(6-7-14)8-9-16/h13,17H,3-8,10-12H2,1-2H3.
What are the key properties of 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 250.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,2-diethyloxan-4-yl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 83033259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).