5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine

C16H25N — CID 146480022

IUPAC5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine
SMILESC=C1CC1CCC12CC3(C)CC1CC(N)(C3)C2
InChIInChI=1S/C16H25N/c1-11-5-12(11)3-4-15-8-14(2)6-13(15)7-16(17,9-14)10-15/h12-13H,1,3-10,17H2,2H3
InChIKeyFQZWPXJSKLYUFJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.64
Rot. Bonds3

About 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine

5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine (PubChem CID 146480022) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine.

Molecular Properties

Compound Name5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine
PubChem CID146480022
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine
SMILESC=C1CC1CCC12CC3(C)CC1CC(N)(C3)C2
InChIInChI=1S/C16H25N/c1-11-5-12(11)3-4-15-8-14(2)6-13(15)7-16(17,9-14)10-15/h12-13H,1,3-10,17H2,2H3
InChIKeyFQZWPXJSKLYUFJ-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine?
The IUPAC name of 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine (CID 146480022) is 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine.
What is the SMILES notation for 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine?
The canonical SMILES for 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine is C=C1CC1CCC12CC3(C)CC1CC(N)(C3)C2.
What is the InChIKey of 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine?
The InChIKey is FQZWPXJSKLYUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-12(11)3-4-15-8-14(2)6-13(15)7-16(17,9-14)10-15/h12-13H,1,3-10,17H2,2H3.
What are the key properties of 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine?
5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-methylidenecyclopropyl)ethyl]tricyclo[3.3.1.03,7]nonan-1-amine is sourced from PubChem (CID 146480022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).