ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile

C14H29N3 — CID 144962935

IUPACethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
SMILESCC.CC.CN1CCC(NC2(C#N)CC2)CC1
InChIInChI=1S/C10H17N3.2C2H6/c1-13-6-2-9(3-7-13)12-10(8-11)4-5-10;2*1-2/h9,12H,2-7H2,1H3;2*1-2H3
InChIKeyHTALQQWOMPTXML-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds2

About ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile

ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile (PubChem CID 144962935) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nameethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
PubChem CID144962935
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nameethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
SMILESCC.CC.CN1CCC(NC2(C#N)CC2)CC1
InChIInChI=1S/C10H17N3.2C2H6/c1-13-6-2-9(3-7-13)12-10(8-11)4-5-10;2*1-2/h9,12H,2-7H2,1H3;2*1-2H3
InChIKeyHTALQQWOMPTXML-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 155472384
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
CID 167501163
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
CID 114818329
1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 116836897
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 112682393
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile (CID 144962935) is ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile is CC.CC.CN1CCC(NC2(C#N)CC2)CC1.
What is the InChIKey of ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
The InChIKey is HTALQQWOMPTXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2C2H6/c1-13-6-2-9(3-7-13)12-10(8-11)4-5-10;2*1-2/h9,12H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile?
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile has a molecular weight of 239.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 144962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).