6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile

C16H31N3 — CID 62860671

IUPAC6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(C)CC1CCC1
InChIInChI=1S/C16H31N3/c1-14(2)18-16(3,13-17)10-5-6-11-19(4)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3
InChIKeyMUDSCHIGOXAMQY-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds9

About 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile

6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile (PubChem CID 62860671) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
PubChem CID62860671
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(C)CC1CCC1
InChIInChI=1S/C16H31N3/c1-14(2)18-16(3,13-17)10-5-6-11-19(4)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3
InChIKeyMUDSCHIGOXAMQY-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
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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Related Compounds

6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-methyl-2-(methylamino)-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexanenitrile
CID 63865916
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile (CID 62860671) is 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile is CC(C)NC(C)(C#N)CCCCN(C)CC1CCC1.
What is the InChIKey of 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is MUDSCHIGOXAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)18-16(3,13-17)10-5-6-11-19(4)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 62860671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).