4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile

C16H32N4 — CID 105416581

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H32N4/c1-7-18-15(3,12-17)11-14(2)20(6)13-16(19(4)5)9-8-10-16/h14,18H,7-11,13H2,1-6H3
InChIKeyDFVVBYUXIWQUSB-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.07
Rot. Bonds8

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 105416581) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID105416581
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H32N4/c1-7-18-15(3,12-17)11-14(2)20(6)13-16(19(4)5)9-8-10-16/h14,18H,7-11,13H2,1-6H3
InChIKeyDFVVBYUXIWQUSB-UHFFFAOYSA-N
XLogP2.07
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79858456
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
CID 105414725
1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 105417765
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile (CID 105416581) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is DFVVBYUXIWQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-18-15(3,12-17)11-14(2)20(6)13-16(19(4)5)9-8-10-16/h14,18H,7-11,13H2,1-6H3.
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 280.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 105416581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).