N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

C14H25NO — CID 43225976

IUPACN-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)COCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25NO/c1-11(2)10-16-8-4-7-15-14-9-12-5-3-6-13(12)14/h3,6,11-15H,4-5,7-10H2,1-2H3
InChIKeyWJOSDXWLHSIHNF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43225976) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43225976
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)COCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25NO/c1-11(2)10-16-8-4-7-15-14-9-12-5-3-6-13(12)14/h3,6,11-15H,4-5,7-10H2,1-2H3
InChIKeyWJOSDXWLHSIHNF-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43225976) is N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is CC(C)COCCCNC1CC2CC=CC21.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is WJOSDXWLHSIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)10-16-8-4-7-15-14-9-12-5-3-6-13(12)14/h3,6,11-15H,4-5,7-10H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 223.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43225976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).