2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile

C14H24N2O — CID 55004073

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile
SMILESCOCCN(C(C)C1CC1)C1CCCC1C#N
InChIInChI=1S/C14H24N2O/c1-11(12-6-7-12)16(8-9-17-2)14-5-3-4-13(14)10-15/h11-14H,3-9H2,1-2H3
InChIKeyMJCCGZGQMLPVOM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile

2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 55004073) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile
PubChem CID55004073
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile
SMILESCOCCN(C(C)C1CC1)C1CCCC1C#N
InChIInChI=1S/C14H24N2O/c1-11(12-6-7-12)16(8-9-17-2)14-5-3-4-13(14)10-15/h11-14H,3-9H2,1-2H3
InChIKeyMJCCGZGQMLPVOM-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile (CID 55004073) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile is COCCN(C(C)C1CC1)C1CCCC1C#N.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is MJCCGZGQMLPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(12-6-7-12)16(8-9-17-2)14-5-3-4-13(14)10-15/h11-14H,3-9H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).