2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

C18H26N2O — CID 61210573

IUPAC2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NC2CCCCCC2)c1
InChIInChI=1S/C18H26N2O/c1-14(2)21-17-11-7-8-15(12-17)18(13-19)20-16-9-5-3-4-6-10-16/h7-8,11-12,14,16,18,20H,3-6,9-10H2,1-2H3
InChIKeyAGZFSWIEKSDSFR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.35
Rot. Bonds5

About 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 61210573) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID61210573
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NC2CCCCCC2)c1
InChIInChI=1S/C18H26N2O/c1-14(2)21-17-11-7-8-15(12-17)18(13-19)20-16-9-5-3-4-6-10-16/h7-8,11-12,14,16,18,20H,3-6,9-10H2,1-2H3
InChIKeyAGZFSWIEKSDSFR-UHFFFAOYSA-N
XLogP4.35
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
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CID 80604146
2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
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2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
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2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
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CID 61210570

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 61210573) is 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1cccc(C(C#N)NC2CCCCCC2)c1.
What is the InChIKey of 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is AGZFSWIEKSDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)21-17-11-7-8-15(12-17)18(13-19)20-16-9-5-3-4-6-10-16/h7-8,11-12,14,16,18,20H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 286.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 61210573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).