2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile

C15H33N5 — CID 141061026

IUPAC2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
SMILESCCC(C(C(CC)N(C)C)C(N)(C#N)N(C)C)N(C)C
InChIInChI=1S/C15H33N5/c1-9-12(18(3)4)14(13(10-2)19(5)6)15(17,11-16)20(7)8/h12-14H,9-10,17H2,1-8H3
InChIKeyBANKZMDCIGESEX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.02
Rot. Bonds8

About 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile

2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile (PubChem CID 141061026) has the molecular formula C15H33N5 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile.

Molecular Properties

Compound Name2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
PubChem CID141061026
Molecular FormulaC15H33N5
Molecular Weight283.46 g/mol
Exact Mass283.27
IUPAC Name2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
SMILESCCC(C(C(CC)N(C)C)C(N)(C#N)N(C)C)N(C)C
InChIInChI=1S/C15H33N5/c1-9-12(18(3)4)14(13(10-2)19(5)6)15(17,11-16)20(7)8/h12-14H,9-10,17H2,1-8H3
InChIKeyBANKZMDCIGESEX-UHFFFAOYSA-N
XLogP1.02
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The IUPAC name of 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile (CID 141061026) is 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile.
What is the SMILES notation for 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The canonical SMILES for 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile is CCC(C(C(CC)N(C)C)C(N)(C#N)N(C)C)N(C)C.
What is the InChIKey of 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
The InChIKey is BANKZMDCIGESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5/c1-9-12(18(3)4)14(13(10-2)19(5)6)15(17,11-16)20(7)8/h12-14H,9-10,17H2,1-8H3.
What are the key properties of 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile?
2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile has a molecular weight of 283.46 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-bis(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile is sourced from PubChem (CID 141061026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).