2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine

C15H33N3 — CID 80557311

IUPAC2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18(4)14-9-8-11-17(3)12-14/h14H,5-13,16H2,1-4H3
InChIKeyPMBLFQOZOVXSBI-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds7

About 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine

2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine (PubChem CID 80557311) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
PubChem CID80557311
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18(4)14-9-8-11-17(3)12-14/h14H,5-13,16H2,1-4H3
InChIKeyPMBLFQOZOVXSBI-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
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-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine (CID 80557311) is 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine is CCCCCC(C)(CN)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine?
The InChIKey is PMBLFQOZOVXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-6-7-10-15(2,13-16)18(4)14-9-8-11-17(3)12-14/h14H,5-13,16H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine?
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine is sourced from PubChem (CID 80557311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).