1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile

C17H30N4 — CID 79639453

IUPAC1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCN1CCC(CN(C)C2CCC(C#N)(NC3CC3)C2)CC1
InChIInChI=1S/C17H30N4/c1-20-9-6-14(7-10-20)12-21(2)16-5-8-17(11-16,13-18)19-15-3-4-15/h14-16,19H,3-12H2,1-2H3
InChIKeyCYWISCBQNCLELW-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.83
Rot. Bonds5

About 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile (PubChem CID 79639453) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
PubChem CID79639453
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCN1CCC(CN(C)C2CCC(C#N)(NC3CC3)C2)CC1
InChIInChI=1S/C17H30N4/c1-20-9-6-14(7-10-20)12-21(2)16-5-8-17(11-16,13-18)19-15-3-4-15/h14-16,19H,3-12H2,1-2H3
InChIKeyCYWISCBQNCLELW-UHFFFAOYSA-N
XLogP1.83
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639452
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639281
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
[1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentyl]methanol
CID 79656509
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile (CID 79639453) is 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile is CN1CCC(CN(C)C2CCC(C#N)(NC3CC3)C2)CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is CYWISCBQNCLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-20-9-6-14(7-10-20)12-21(2)16-5-8-17(11-16,13-18)19-15-3-4-15/h14-16,19H,3-12H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 290.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).