1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile

C12H20N2 — CID 115242434

IUPAC1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1CCCC1)CC1(C#N)CC1
InChIInChI=1S/C12H20N2/c1-14(8-11-4-2-3-5-11)10-12(9-13)6-7-12/h11H,2-8,10H2,1H3
InChIKeyCSJGKNYXUXVJCO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.41
Rot. Bonds4

About 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242434) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242434
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1CCCC1)CC1(C#N)CC1
InChIInChI=1S/C12H20N2/c1-14(8-11-4-2-3-5-11)10-12(9-13)6-7-12/h11H,2-8,10H2,1H3
InChIKeyCSJGKNYXUXVJCO-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile
CID 85157136
2-[(Diethylamino)methyl]cyclopropanecarbonitrile
CID 20031339
1-(Diethylamino)cyclopentanecarbonitrile
CID 24276761
1-[Ethyl(methyl)amino]cyclopentanecarbonitrile
CID 51342199
1-(1-Methylpyrrolidin-3-yl)cyclopropane-1-carbonitrile
CID 57580098
3-(Dibutylamino)cyclopentane-1-carbonitrile
CID 66606491
3-[Di(propan-2-yl)amino]cyclopentane-1-carbonitrile
CID 66606863
3-(Diethylamino)cyclopentane-1-carbonitrile
CID 66607026
3-[Bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 66607139
3-(Dipropylamino)cyclopentane-1-carbonitrile
CID 66607727
1-[Bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 67455046
1-(Diethylaminomethyl)cyclopentane-1-carbonitrile
CID 82111518

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242434) is 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile is CN(CC1CCCC1)CC1(C#N)CC1.
What is the InChIKey of 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is CSJGKNYXUXVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14(8-11-4-2-3-5-11)10-12(9-13)6-7-12/h11H,2-8,10H2,1H3.
What are the key properties of 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).