3-(4-methylpentoxy)-N-propylcyclobutan-1-amine

C13H27NO — CID 66357425

IUPAC3-(4-methylpentoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCC(C)C)C1
InChIInChI=1S/C13H27NO/c1-4-7-14-12-9-13(10-12)15-8-5-6-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyONAJXIZQOSGUQT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine

3-(4-methylpentoxy)-N-propylcyclobutan-1-amine (PubChem CID 66357425) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylpentoxy)-N-propylcyclobutan-1-amine
PubChem CID66357425
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(4-methylpentoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCC(C)C)C1
InChIInChI=1S/C13H27NO/c1-4-7-14-12-9-13(10-12)15-8-5-6-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyONAJXIZQOSGUQT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine (CID 66357425) is 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OCCCC(C)C)C1.
What is the InChIKey of 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine?
The InChIKey is ONAJXIZQOSGUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-14-12-9-13(10-12)15-8-5-6-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine?
3-(4-methylpentoxy)-N-propylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).