2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile

C14H27N3 — CID 63865916

IUPAC2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile
SMILESCNC(C)(C#N)CCCCN(C)CC1CC1C
InChIInChI=1S/C14H27N3/c1-12-9-13(12)10-17(4)8-6-5-7-14(2,11-15)16-3/h12-13,16H,5-10H2,1-4H3
InChIKeyYLXTXAKZVHQXGL-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile

2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile (PubChem CID 63865916) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile
PubChem CID63865916
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile
SMILESCNC(C)(C#N)CCCCN(C)CC1CC1C
InChIInChI=1S/C14H27N3/c1-12-9-13(12)10-17(4)8-6-5-7-14(2,11-15)16-3/h12-13,16H,5-10H2,1-4H3
InChIKeyYLXTXAKZVHQXGL-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile (CID 63865916) is 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile is CNC(C)(C#N)CCCCN(C)CC1CC1C.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile?
The InChIKey is YLXTXAKZVHQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-9-13(12)10-17(4)8-6-5-7-14(2,11-15)16-3/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile?
2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile is sourced from PubChem (CID 63865916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).