N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine

C19H31N — CID 81421361

IUPACN,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine
SMILESCCNC1C(C(C)C)C(c2ccccc2)C1(CC)CC
InChIInChI=1S/C19H31N/c1-6-19(7-2)17(15-12-10-9-11-13-15)16(14(4)5)18(19)20-8-3/h9-14,16-18,20H,6-8H2,1-5H3
InChIKeyHLDBOPNOECQKEL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.84
Rot. Bonds6

About N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine

N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine (PubChem CID 81421361) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine
PubChem CID81421361
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine
SMILESCCNC1C(C(C)C)C(c2ccccc2)C1(CC)CC
InChIInChI=1S/C19H31N/c1-6-19(7-2)17(15-12-10-9-11-13-15)16(14(4)5)18(19)20-8-3/h9-14,16-18,20H,6-8H2,1-5H3
InChIKeyHLDBOPNOECQKEL-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine (CID 81421361) is N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine is CCNC1C(C(C)C)C(c2ccccc2)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine?
The InChIKey is HLDBOPNOECQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-19(7-2)17(15-12-10-9-11-13-15)16(14(4)5)18(19)20-8-3/h9-14,16-18,20H,6-8H2,1-5H3.
What are the key properties of N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine?
N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-3-phenyl-4-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 81421361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).