7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine

C17H36N2 — CID 103604979

IUPAC7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
SMILESCC(C)CCCCCCNCCC1CCCCN1C
InChIInChI=1S/C17H36N2/c1-16(2)10-6-4-5-8-13-18-14-12-17-11-7-9-15-19(17)3/h16-18H,4-15H2,1-3H3
InChIKeyXCCUGYDEFRIDLM-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

About 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine

7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine (PubChem CID 103604979) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
PubChem CID103604979
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
SMILESCC(C)CCCCCCNCCC1CCCCN1C
InChIInChI=1S/C17H36N2/c1-16(2)10-6-4-5-8-13-18-14-12-17-11-7-9-15-19(17)3/h16-18H,4-15H2,1-3H3
InChIKeyXCCUGYDEFRIDLM-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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

4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine (CID 103604979) is 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine is CC(C)CCCCCCNCCC1CCCCN1C.
What is the InChIKey of 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine?
The InChIKey is XCCUGYDEFRIDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-16(2)10-6-4-5-8-13-18-14-12-17-11-7-9-15-19(17)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine?
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine is sourced from PubChem (CID 103604979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).