1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile

C14H26N2 — CID 65085850

IUPAC1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(N(CC)CC)CC1
InChIInChI=1S/C14H26N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-11H2,1-3H3
InChIKeyHZHVKLHFLDMVFX-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds4

About 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile

1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile (PubChem CID 65085850) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
PubChem CID65085850
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(N(CC)CC)CC1
InChIInChI=1S/C14H26N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-11H2,1-3H3
InChIKeyHZHVKLHFLDMVFX-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43802703
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
4-(diethylamino)oxane-4-carbonitrile
CID 43802728
4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429
1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
CID 65088092
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-[cyclobutylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164649621

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile?
The IUPAC name of 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile (CID 65085850) is 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile is CCC1CCCC(C#N)(N(CC)CC)CC1.
What is the InChIKey of 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile?
The InChIKey is HZHVKLHFLDMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-11H2,1-3H3.
What are the key properties of 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile?
1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65085850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).