N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C18H30N2 — CID 63061073

IUPACN-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)19-15-16-9-11-17(12-10-16)20-13-7-5-4-6-8-14-20/h9-12,19H,4-8,13-15H2,1-3H3
InChIKeySGCJUDIHZMPJJY-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds3

About N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63061073) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63061073
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)19-15-16-9-11-17(12-10-16)20-13-7-5-4-6-8-14-20/h9-12,19H,4-8,13-15H2,1-3H3
InChIKeySGCJUDIHZMPJJY-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63069986
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058487
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
CID 155109476

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63061073) is N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(N2CCCCCCC2)cc1.
What is the InChIKey of N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SGCJUDIHZMPJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)19-15-16-9-11-17(12-10-16)20-13-7-5-4-6-8-14-20/h9-12,19H,4-8,13-15H2,1-3H3.
What are the key properties of N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63061073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).