5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile

C15H29N3 — CID 83121516

IUPAC5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
SMILESCN(C)C1(CNCCCC(C)(C)C#N)CCCC1
InChIInChI=1S/C15H29N3/c1-14(2,12-16)8-7-11-17-13-15(18(3)4)9-5-6-10-15/h17H,5-11,13H2,1-4H3
InChIKeyHEQGFKKRONPDGQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds7

About 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile

5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile (PubChem CID 83121516) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
PubChem CID83121516
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
SMILESCN(C)C1(CNCCCC(C)(C)C#N)CCCC1
InChIInChI=1S/C15H29N3/c1-14(2,12-16)8-7-11-17-13-15(18(3)4)9-5-6-10-15/h17H,5-11,13H2,1-4H3
InChIKeyHEQGFKKRONPDGQ-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1-methoxycyclobutyl)methylamino]-2,2-dimethylhexanenitrile
CID 114119384
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
2,2-dimethyl-5-[(2-methylthiolan-2-yl)methylamino]pentanenitrile
CID 80721565
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile (CID 83121516) is 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile is CN(C)C1(CNCCCC(C)(C)C#N)CCCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile?
The InChIKey is HEQGFKKRONPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-14(2,12-16)8-7-11-17-13-15(18(3)4)9-5-6-10-15/h17H,5-11,13H2,1-4H3.
What are the key properties of 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile?
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 83121516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).