N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine

C17H27N — CID 65004114

IUPACN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2ccccc2)CC(CC)(CC)C1
InChIInChI=1S/C17H27N/c1-4-16(5-2)12-17(13-16,14-18-6-3)15-10-8-7-9-11-15/h7-11,18H,4-6,12-14H2,1-3H3
InChIKeyBPICTZUFAWQBGP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds6

About N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine

N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine (PubChem CID 65004114) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
PubChem CID65004114
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2ccccc2)CC(CC)(CC)C1
InChIInChI=1S/C17H27N/c1-4-16(5-2)12-17(13-16,14-18-6-3)15-10-8-7-9-11-15/h7-11,18H,4-6,12-14H2,1-3H3
InChIKeyBPICTZUFAWQBGP-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine (CID 65004114) is N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine is CCNCC1(c2ccccc2)CC(CC)(CC)C1.
What is the InChIKey of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine?
The InChIKey is BPICTZUFAWQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-16(5-2)12-17(13-16,14-18-6-3)15-10-8-7-9-11-15/h7-11,18H,4-6,12-14H2,1-3H3.
What are the key properties of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine?
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 65004114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).