3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile

C18H25N3 — CID 102612624

IUPAC3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCN(CCNC1CC(C#N)(c2ccccc2)C1)C1CC1
InChIInChI=1S/C18H25N3/c1-2-21(17-8-9-17)11-10-20-16-12-18(13-16,14-19)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3
InChIKeyFNTGZDAHTPGJGZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.68
Rot. Bonds7

About 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile

3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 102612624) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID102612624
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCN(CCNC1CC(C#N)(c2ccccc2)C1)C1CC1
InChIInChI=1S/C18H25N3/c1-2-21(17-8-9-17)11-10-20-16-12-18(13-16,14-19)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3
InChIKeyFNTGZDAHTPGJGZ-UHFFFAOYSA-N
XLogP2.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile (CID 102612624) is 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile is CCN(CCNC1CC(C#N)(c2ccccc2)C1)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is FNTGZDAHTPGJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-21(17-8-9-17)11-10-20-16-12-18(13-16,14-19)15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-13H2,1H3.
What are the key properties of 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(ethyl)amino]ethylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 102612624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).