4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine

C20H36N2 — CID 67561114

IUPAC4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)N)cc1
InChIInChI=1S/C20H36N2/c1-17(2,13-19(5,6)21)15-9-11-16(12-10-15)18(3,4)14-20(7,8)22/h9-12H,13-14,21-22H2,1-8H3
InChIKeyAMQCGZZETSPWEI-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.50
Rot. Bonds6

About 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine

4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine (PubChem CID 67561114) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
PubChem CID67561114
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)N)cc1
InChIInChI=1S/C20H36N2/c1-17(2,13-19(5,6)21)15-9-11-16(12-10-15)18(3,4)14-20(7,8)22/h9-12H,13-14,21-22H2,1-8H3
InChIKeyAMQCGZZETSPWEI-UHFFFAOYSA-N
XLogP4.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine (CID 67561114) is 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine is CC(C)(N)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)N)cc1.
What is the InChIKey of 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The InChIKey is AMQCGZZETSPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-17(2,13-19(5,6)21)15-9-11-16(12-10-15)18(3,4)14-20(7,8)22/h9-12H,13-14,21-22H2,1-8H3.
What are the key properties of 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine has a molecular weight of 304.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 67561114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).