1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

C16H30N2 — CID 43802703

IUPAC1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H30N2/c1-6-15(4,5)14-9-11-16(13-17,12-10-14)18(7-2)8-3/h14H,6-12H2,1-5H3
InChIKeyLDSKQVMINDQLKS-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.22
Rot. Bonds5

About 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 43802703) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
PubChem CID43802703
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H30N2/c1-6-15(4,5)14-9-11-16(13-17,12-10-14)18(7-2)8-3/h14H,6-12H2,1-5H3
InChIKeyLDSKQVMINDQLKS-UHFFFAOYSA-N
XLogP4.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65085850
4-(diethylamino)oxane-4-carbonitrile
CID 43802728
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 107397649
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
CID 62775070
8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 117039634
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62773323
4-(2-methylbutan-2-yl)oxane
CID 91527752
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (CID 43802703) is 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is CCN(CC)C1(C#N)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is LDSKQVMINDQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-15(4,5)14-9-11-16(13-17,12-10-14)18(7-2)8-3/h14H,6-12H2,1-5H3.
What are the key properties of 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 250.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43802703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).