3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

C15H29N3O — CID 81061361

IUPAC3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(C)CCOC(C)C)C1
InChIInChI=1S/C15H29N3O/c1-5-8-17-15(12-16)7-6-14(11-15)18(4)9-10-19-13(2)3/h13-14,17H,5-11H2,1-4H3
InChIKeyIAYPCNRPHBEGKK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds8

About 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 81061361) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID81061361
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(C)CCOC(C)C)C1
InChIInChI=1S/C15H29N3O/c1-5-8-17-15(12-16)7-6-14(11-15)18(4)9-10-19-13(2)3/h13-14,17H,5-11H2,1-4H3
InChIKeyIAYPCNRPHBEGKK-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 81065200
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[methyl(oxan-4-ylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639785
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639281
3-[methyl(2-methylsulfonylethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79858170
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile (CID 81061361) is 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N(C)CCOC(C)C)C1.
What is the InChIKey of 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is IAYPCNRPHBEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-17-15(12-16)7-6-14(11-15)18(4)9-10-19-13(2)3/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 81061361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).