2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine

C17H36N2 — CID 29046500

IUPAC2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCCCN1CCCCC1
InChIInChI=1S/C17H36N2/c1-15(2)13-17(14-16(3)4)18-9-8-12-19-10-6-5-7-11-19/h15-18H,5-14H2,1-4H3
InChIKeyIAUPHTJEDPSARJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds9

About 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine

2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine (PubChem CID 29046500) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
PubChem CID29046500
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCCCN1CCCCC1
InChIInChI=1S/C17H36N2/c1-15(2)13-17(14-16(3)4)18-9-8-12-19-10-6-5-7-11-19/h15-18H,5-14H2,1-4H3
InChIKeyIAUPHTJEDPSARJ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
CID 115707779
1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 114015010
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride
CID 24834649
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine (CID 29046500) is 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine is CC(C)CC(CC(C)C)NCCCN1CCCCC1.
What is the InChIKey of 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine?
The InChIKey is IAUPHTJEDPSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-15(2)13-17(14-16(3)4)18-9-8-12-19-10-6-5-7-11-19/h15-18H,5-14H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine?
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine is sourced from PubChem (CID 29046500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).