N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine

C15H27N — CID 126648096

IUPACN-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine
SMILESC/C(=C(\NC1=CCC1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(14(2,3)4)13(15(5,6)7)16-12-9-8-10-12/h9,16H,8,10H2,1-7H3/b13-11+
InChIKeyYIVYBSORLPZBEV-ACCUITESSA-N
MW221.39 g/mol
LogP4.62
Rot. Bonds2

About N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine

N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine (PubChem CID 126648096) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine.

Molecular Properties

Compound NameN-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine
PubChem CID126648096
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine
SMILESC/C(=C(\NC1=CCC1)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11(14(2,3)4)13(15(5,6)7)16-12-9-8-10-12/h9,16H,8,10H2,1-7H3/b13-11+
InChIKeyYIVYBSORLPZBEV-ACCUITESSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine?
The IUPAC name of N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine (CID 126648096) is N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine.
What is the SMILES notation for N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine?
The canonical SMILES for N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine is C/C(=C(\NC1=CCC1)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine?
The InChIKey is YIVYBSORLPZBEV-ACCUITESSA-N. The full InChI is InChI=1S/C15H27N/c1-11(14(2,3)4)13(15(5,6)7)16-12-9-8-10-12/h9,16H,8,10H2,1-7H3/b13-11+.
What are the key properties of N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine?
N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2,4,5,5-pentamethylhex-3-en-3-yl]cyclobuten-1-amine is sourced from PubChem (CID 126648096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).