N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline

C22H38N2 — CID 151260872

IUPACN-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
SMILESCCCCCCCCC(C)N(CC1CCCCN1)c1ccccc1
InChIInChI=1S/C22H38N2/c1-3-4-5-6-7-9-14-20(2)24(22-16-10-8-11-17-22)19-21-15-12-13-18-23-21/h8,10-11,16-17,20-21,23H,3-7,9,12-15,18-19H2,1-2H3
InChIKeyNUHVPCBEEQFCHH-UHFFFAOYSA-N
MW330.56 g/mol
LogP5.77
Rot. Bonds11

About N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline

N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline (PubChem CID 151260872) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
PubChem CID151260872
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC NameN-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
SMILESCCCCCCCCC(C)N(CC1CCCCN1)c1ccccc1
InChIInChI=1S/C22H38N2/c1-3-4-5-6-7-9-14-20(2)24(22-16-10-8-11-17-22)19-21-15-12-13-18-23-21/h8,10-11,16-17,20-21,23H,3-7,9,12-15,18-19H2,1-2H3
InChIKeyNUHVPCBEEQFCHH-UHFFFAOYSA-N
XLogP5.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.77
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

N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-[3-(1-benzylpiperidin-2-yl)propyl]-N-decan-2-ylaniline
CID 150875630
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-butyl-N-phenyl-2-piperidin-2-ylacetamide
CID 64584615

Frequently Asked Questions

What is the IUPAC name of N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline (CID 151260872) is N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline is CCCCCCCCC(C)N(CC1CCCCN1)c1ccccc1.
What is the InChIKey of N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is NUHVPCBEEQFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2/c1-3-4-5-6-7-9-14-20(2)24(22-16-10-8-11-17-22)19-21-15-12-13-18-23-21/h8,10-11,16-17,20-21,23H,3-7,9,12-15,18-19H2,1-2H3.
What are the key properties of N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline?
N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 330.56 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 151260872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).