N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine

C17H36N2 — CID 106623511

IUPACN-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
SMILESCCCCCCC(C)N(CCC)CC1CCCCN1
InChIInChI=1S/C17H36N2/c1-4-6-7-8-11-16(3)19(14-5-2)15-17-12-9-10-13-18-17/h16-18H,4-15H2,1-3H3
InChIKeyJPRCDNVMQLGBRU-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds10

About N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine

N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine (PubChem CID 106623511) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
PubChem CID106623511
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
SMILESCCCCCCC(C)N(CCC)CC1CCCCN1
InChIInChI=1S/C17H36N2/c1-4-6-7-8-11-16(3)19(14-5-2)15-17-12-9-10-13-18-17/h16-18H,4-15H2,1-3H3
InChIKeyJPRCDNVMQLGBRU-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
CID 151260872
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine (CID 106623511) is N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine is CCCCCCC(C)N(CCC)CC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine?
The InChIKey is JPRCDNVMQLGBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-6-7-8-11-16(3)19(14-5-2)15-17-12-9-10-13-18-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine?
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine is sourced from PubChem (CID 106623511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).