3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile

C13H28N4 — CID 118937963

IUPAC3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
SMILESCCC(N(C)C)C(N)(CC#N)C(CC)N(C)C
InChIInChI=1S/C13H28N4/c1-7-11(16(3)4)13(15,9-10-14)12(8-2)17(5)6/h11-12H,7-9,15H2,1-6H3
InChIKeySNJAQRJLAWMIML-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.28
Rot. Bonds7

About 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile

3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile (PubChem CID 118937963) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
PubChem CID118937963
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
SMILESCCC(N(C)C)C(N)(CC#N)C(CC)N(C)C
InChIInChI=1S/C13H28N4/c1-7-11(16(3)4)13(15,9-10-14)12(8-2)17(5)6/h11-12H,7-9,15H2,1-6H3
InChIKeySNJAQRJLAWMIML-UHFFFAOYSA-N
XLogP1.28
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
CID 141061026
3-N,3-N,6-N,6-N,5-pentamethyloctane-3,4,4,6-tetramine
CID 18183759
2-[1-(dimethylamino)propyl-methylamino]acetonitrile
CID 141002241
1-aminoethane-1,1,2-tricarbonitrile
CID 54314011
propanenitrile bromide
CID 19792087
3-ethyl-3-hydroxy-4-methylhexanenitrile
CID 139781293
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
3-(dimethylamino)-2-ethylpentanenitrile
CID 116913659
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
1-(2-aminopropan-2-yloxy)-N,N-dimethylpropan-1-amine
CID 174784058
3-tert-butyl-3-hydroxy-4,4-dimethylpentanenitrile
CID 169324247
methyl(pentan-3-yl)cyanamide
CID 87839420

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The IUPAC name of 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile (CID 118937963) is 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile.
What is the SMILES notation for 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The canonical SMILES for 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile is CCC(N(C)C)C(N)(CC#N)C(CC)N(C)C.
What is the InChIKey of 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The InChIKey is SNJAQRJLAWMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-7-11(16(3)4)13(15,9-10-14)12(8-2)17(5)6/h11-12H,7-9,15H2,1-6H3.
What are the key properties of 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile has a molecular weight of 240.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile is sourced from PubChem (CID 118937963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).