N-decyl-2-(4-methylpentan-2-yl)aniline

C22H39N — CID 150856214

IUPACN-decyl-2-(4-methylpentan-2-yl)aniline
SMILESCCCCCCCCCCNc1ccccc1C(C)CC(C)C
InChIInChI=1S/C22H39N/c1-5-6-7-8-9-10-11-14-17-23-22-16-13-12-15-21(22)20(4)18-19(2)3/h12-13,15-16,19-20,23H,5-11,14,17-18H2,1-4H3
InChIKeyKRBFAXVZNOPYCR-UHFFFAOYSA-N
MW317.56 g/mol
LogP7.39
Rot. Bonds13

About N-decyl-2-(4-methylpentan-2-yl)aniline

N-decyl-2-(4-methylpentan-2-yl)aniline (PubChem CID 150856214) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is N-decyl-2-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound NameN-decyl-2-(4-methylpentan-2-yl)aniline
PubChem CID150856214
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC NameN-decyl-2-(4-methylpentan-2-yl)aniline
SMILESCCCCCCCCCCNc1ccccc1C(C)CC(C)C
InChIInChI=1S/C22H39N/c1-5-6-7-8-9-10-11-14-17-23-22-16-13-12-15-21(22)20(4)18-19(2)3/h12-13,15-16,19-20,23H,5-11,14,17-18H2,1-4H3
InChIKeyKRBFAXVZNOPYCR-UHFFFAOYSA-N
XLogP7.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-decyl-2-(4-methylpentan-2-yl)aniline?
The IUPAC name of N-decyl-2-(4-methylpentan-2-yl)aniline (CID 150856214) is N-decyl-2-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for N-decyl-2-(4-methylpentan-2-yl)aniline?
The canonical SMILES for N-decyl-2-(4-methylpentan-2-yl)aniline is CCCCCCCCCCNc1ccccc1C(C)CC(C)C.
What is the InChIKey of N-decyl-2-(4-methylpentan-2-yl)aniline?
The InChIKey is KRBFAXVZNOPYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-5-6-7-8-9-10-11-14-17-23-22-16-13-12-15-21(22)20(4)18-19(2)3/h12-13,15-16,19-20,23H,5-11,14,17-18H2,1-4H3.
What are the key properties of N-decyl-2-(4-methylpentan-2-yl)aniline?
N-decyl-2-(4-methylpentan-2-yl)aniline has a molecular weight of 317.56 g/mol, XLogP of 7.39, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 150856214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).