1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile

C14H25N3O — CID 79639855

IUPAC1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCOCC(C)N(C)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H25N3O/c1-11(9-18-3)17(2)13-6-7-14(8-13,10-15)16-12-4-5-12/h11-13,16H,4-9H2,1-3H3
InChIKeyVGOIJMDHUQMFOF-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds6

About 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79639855) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
PubChem CID79639855
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCOCC(C)N(C)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C14H25N3O/c1-11(9-18-3)17(2)13-6-7-14(8-13,10-15)16-12-4-5-12/h11-13,16H,4-9H2,1-3H3
InChIKeyVGOIJMDHUQMFOF-UHFFFAOYSA-N
XLogP1.52
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
[1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentyl]methanol
CID 79655891
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 79638560
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639442
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638696
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile (CID 79639855) is 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile is COCC(C)N(C)C1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is VGOIJMDHUQMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(9-18-3)17(2)13-6-7-14(8-13,10-15)16-12-4-5-12/h11-13,16H,4-9H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 251.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).