6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile

C16H33N3O — CID 82960130

IUPAC6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
SMILESCCCNC(C)(C#N)CCCCN(CCOC)C(C)C
InChIInChI=1S/C16H33N3O/c1-6-10-18-16(4,14-17)9-7-8-11-19(15(2)3)12-13-20-5/h15,18H,6-13H2,1-5H3
InChIKeyBNPNNONANWIUOY-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.80
Rot. Bonds12

About 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile

6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile (PubChem CID 82960130) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile.

Molecular Properties

Compound Name6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
PubChem CID82960130
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
SMILESCCCNC(C)(C#N)CCCCN(CCOC)C(C)C
InChIInChI=1S/C16H33N3O/c1-6-10-18-16(4,14-17)9-7-8-11-19(15(2)3)12-13-20-5/h15,18H,6-13H2,1-5H3
InChIKeyBNPNNONANWIUOY-UHFFFAOYSA-N
XLogP2.80
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.80
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-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)hexanenitrile
CID 79184004
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
CID 82940420
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
2-(ethylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82961131

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile?
The IUPAC name of 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile (CID 82960130) is 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile.
What is the SMILES notation for 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile?
The canonical SMILES for 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile is CCCNC(C)(C#N)CCCCN(CCOC)C(C)C.
What is the InChIKey of 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile?
The InChIKey is BNPNNONANWIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-10-18-16(4,14-17)9-7-8-11-19(15(2)3)12-13-20-5/h15,18H,6-13H2,1-5H3.
What are the key properties of 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile?
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile has a molecular weight of 283.46 g/mol, XLogP of 2.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile is sourced from PubChem (CID 82960130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).