ethane;3-(ethylamino)cyclobutane-1-carbonitrile

C9H18N2 — CID 171820400

IUPACethane;3-(ethylamino)cyclobutane-1-carbonitrile
SMILESCC.CCNC1CC(C#N)C1
InChIInChI=1S/C7H12N2.C2H6/c1-2-9-7-3-6(4-7)5-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3
InChIKeyGAIVYFOVMGBKLZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds2

About ethane;3-(ethylamino)cyclobutane-1-carbonitrile

ethane;3-(ethylamino)cyclobutane-1-carbonitrile (PubChem CID 171820400) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;3-(ethylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Nameethane;3-(ethylamino)cyclobutane-1-carbonitrile
PubChem CID171820400
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;3-(ethylamino)cyclobutane-1-carbonitrile
SMILESCC.CCNC1CC(C#N)C1
InChIInChI=1S/C7H12N2.C2H6/c1-2-9-7-3-6(4-7)5-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3
InChIKeyGAIVYFOVMGBKLZ-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-ethynylcyclobutan-1-amine
CID 166930069
N-(3-cyanocyclobutyl)propanamide
CID 156794436
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
CID 166901731
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane
CID 144981761
N,3-diethyl-5-methylcyclohexan-1-amine;ethane
CID 144914242
N-ethylcyclopropanamine;hydrochloride
CID 43810659
ethane;N-ethylcyclohexanamine
CID 144865505
ethane;N-ethyloxetan-3-amine
CID 156737426
3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
CID 89126967
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylamino)cyclobutane-1-carbonitrile?
The IUPAC name of ethane;3-(ethylamino)cyclobutane-1-carbonitrile (CID 171820400) is ethane;3-(ethylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for ethane;3-(ethylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for ethane;3-(ethylamino)cyclobutane-1-carbonitrile is CC.CCNC1CC(C#N)C1.
What is the InChIKey of ethane;3-(ethylamino)cyclobutane-1-carbonitrile?
The InChIKey is GAIVYFOVMGBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-2-9-7-3-6(4-7)5-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-(ethylamino)cyclobutane-1-carbonitrile?
ethane;3-(ethylamino)cyclobutane-1-carbonitrile has a molecular weight of 154.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 171820400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).