N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C16H27N3 — CID 66385034

IUPACN-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccccc2N)CC(C)(C)N1
InChIInChI=1S/C16H27N3/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,13,18-19H,9-11,17H2,1-4H3
InChIKeyGUUSHZCBCUWIEY-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.67
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 66385034) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID66385034
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccccc2N)CC(C)(C)N1
InChIInChI=1S/C16H27N3/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,13,18-19H,9-11,17H2,1-4H3
InChIKeyGUUSHZCBCUWIEY-UHFFFAOYSA-N
XLogP2.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 66385034) is N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2ccccc2N)CC(C)(C)N1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is GUUSHZCBCUWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,13,18-19H,9-11,17H2,1-4H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 66385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).