2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile

C17H34N4 — CID 62546459

IUPAC2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H34N4/c1-15(2)19-17(3,14-18)10-6-7-12-21(5)16-9-8-11-20(4)13-16/h15-16,19H,6-13H2,1-5H3
InChIKeyUTRVNIZSFXAPDH-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.46
Rot. Bonds8

About 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile

2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile (PubChem CID 62546459) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
PubChem CID62546459
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H34N4/c1-15(2)19-17(3,14-18)10-6-7-12-21(5)16-9-8-11-20(4)13-16/h15-16,19H,6-13H2,1-5H3
InChIKeyUTRVNIZSFXAPDH-UHFFFAOYSA-N
XLogP2.46
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.46
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

2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
CID 106803521
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 79184283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile (CID 62546459) is 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile is CC(C)NC(C)(C#N)CCCCN(C)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is UTRVNIZSFXAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15(2)19-17(3,14-18)10-6-7-12-21(5)16-9-8-11-20(4)13-16/h15-16,19H,6-13H2,1-5H3.
What are the key properties of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile?
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 294.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 62546459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).