1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile

C16H31N3 — CID 65088092

IUPAC1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(NCCN(CC)CC)CC1
InChIInChI=1S/C16H31N3/c1-4-15-8-7-10-16(14-17,11-9-15)18-12-13-19(5-2)6-3/h15,18H,4-13H2,1-3H3
InChIKeyDZOSMCMLFVYIAE-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile

1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile (PubChem CID 65088092) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
PubChem CID65088092
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(NCCN(CC)CC)CC1
InChIInChI=1S/C16H31N3/c1-4-15-8-7-10-16(14-17,11-9-15)18-12-13-19(5-2)6-3/h15,18H,4-13H2,1-3H3
InChIKeyDZOSMCMLFVYIAE-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
CID 65089402
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile
CID 65088189
1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65085850
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
CID 54889326
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(3-bromoanilino)-4-ethylcycloheptane-1-carbonitrile
CID 65088440
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile (CID 65088092) is 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile is CCC1CCCC(C#N)(NCCN(CC)CC)CC1.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile?
The InChIKey is DZOSMCMLFVYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-15-8-7-10-16(14-17,11-9-15)18-12-13-19(5-2)6-3/h15,18H,4-13H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile?
1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65088092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).