[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine

C18H29N — CID 166924073

IUPAC[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine
SMILESCC1CC2CC1C1C2C2CC(C3CC(CN)C3C)C21
InChIInChI=1S/C18H29N/c1-8-3-10-4-12(8)18-16(10)15-6-14(17(15)18)13-5-11(7-19)9(13)2/h8-18H,3-7,19H2,1-2H3
InChIKeyPAHGGLXIXHPIOB-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.39
Rot. Bonds2

About [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine

[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine (PubChem CID 166924073) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine
PubChem CID166924073
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine
SMILESCC1CC2CC1C1C2C2CC(C3CC(CN)C3C)C21
InChIInChI=1S/C18H29N/c1-8-3-10-4-12(8)18-16(10)15-6-14(17(15)18)13-5-11(7-19)9(13)2/h8-18H,3-7,19H2,1-2H3
InChIKeyPAHGGLXIXHPIOB-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine?
The IUPAC name of [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine (CID 166924073) is [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine?
The canonical SMILES for [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine is CC1CC2CC1C1C2C2CC(C3CC(CN)C3C)C21.
What is the InChIKey of [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine?
The InChIKey is PAHGGLXIXHPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-8-3-10-4-12(8)18-16(10)15-6-14(17(15)18)13-5-11(7-19)9(13)2/h8-18H,3-7,19H2,1-2H3.
What are the key properties of [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine?
[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine has a molecular weight of 259.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine is sourced from PubChem (CID 166924073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).