1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine

C14H29NO — CID 91487610

IUPAC1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine
SMILESCCCCC1CC1(C)C(OC(C)N)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-12-9-14(12,5)13(10(2)3)16-11(4)15/h10-13H,6-9,15H2,1-5H3
InChIKeyYQRRWDZXWXZLNQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.55
Rot. Bonds7

About 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine

1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine (PubChem CID 91487610) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine.

Molecular Properties

Compound Name1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine
PubChem CID91487610
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine
SMILESCCCCC1CC1(C)C(OC(C)N)C(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-12-9-14(12,5)13(10(2)3)16-11(4)15/h10-13H,6-9,15H2,1-5H3
InChIKeyYQRRWDZXWXZLNQ-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine?
The IUPAC name of 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine (CID 91487610) is 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine.
What is the SMILES notation for 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine?
The canonical SMILES for 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine is CCCCC1CC1(C)C(OC(C)N)C(C)C.
What is the InChIKey of 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine?
The InChIKey is YQRRWDZXWXZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-8-12-9-14(12,5)13(10(2)3)16-11(4)15/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine?
1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butyl-1-methylcyclopropyl)-2-methylpropoxy]ethanamine is sourced from PubChem (CID 91487610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).