1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine

C18H29N — CID 117403092

IUPAC1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)CC(C)(C)c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C18H29N/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)18(19)11-6-12-18/h7-10H,6,11-13,19H2,1-5H3
InChIKeyQHAAKLCXPQNBIH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.74
Rot. Bonds3

About 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine

1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 117403092) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine
PubChem CID117403092
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)CC(C)(C)c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C18H29N/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)18(19)11-6-12-18/h7-10H,6,11-13,19H2,1-5H3
InChIKeyQHAAKLCXPQNBIH-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine (CID 117403092) is 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine is CC(C)(C)CC(C)(C)c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is QHAAKLCXPQNBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)18(19)11-6-12-18/h7-10H,6,11-13,19H2,1-5H3.
What are the key properties of 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117403092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).