6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile

C17H34N4 — CID 105416604

IUPAC6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H34N4/c1-6-19-16(2,14-18)10-7-8-13-21(5)15-17(20(3)4)11-9-12-17/h19H,6-13,15H2,1-5H3
InChIKeyNZRHITLBLQEBCQ-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.46
Rot. Bonds10

About 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile

6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile (PubChem CID 105416604) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
PubChem CID105416604
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H34N4/c1-6-19-16(2,14-18)10-7-8-13-21(5)15-17(20(3)4)11-9-12-17/h19H,6-13,15H2,1-5H3
InChIKeyNZRHITLBLQEBCQ-UHFFFAOYSA-N
XLogP2.46
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile (CID 105416604) is 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile is CCNC(C)(C#N)CCCCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile?
The InChIKey is NZRHITLBLQEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-6-19-16(2,14-18)10-7-8-13-21(5)15-17(20(3)4)11-9-12-17/h19H,6-13,15H2,1-5H3.
What are the key properties of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile?
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile has a molecular weight of 294.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 105416604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).