2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine

C14H30N2O — CID 167227428

IUPAC2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine
SMILESCCCC(C)(CC(C)N)OCC1CCC1(C)N
InChIInChI=1S/C14H30N2O/c1-5-7-13(3,9-11(2)15)17-10-12-6-8-14(12,4)16/h11-12H,5-10,15-16H2,1-4H3
InChIKeyFNKFCYUQUFOCHQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.43
Rot. Bonds7

About 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine

2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine (PubChem CID 167227428) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine
PubChem CID167227428
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine
SMILESCCCC(C)(CC(C)N)OCC1CCC1(C)N
InChIInChI=1S/C14H30N2O/c1-5-7-13(3,9-11(2)15)17-10-12-6-8-14(12,4)16/h11-12H,5-10,15-16H2,1-4H3
InChIKeyFNKFCYUQUFOCHQ-UHFFFAOYSA-N
XLogP2.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine?
The IUPAC name of 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine (CID 167227428) is 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine is CCCC(C)(CC(C)N)OCC1CCC1(C)N.
What is the InChIKey of 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine?
The InChIKey is FNKFCYUQUFOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-7-13(3,9-11(2)15)17-10-12-6-8-14(12,4)16/h11-12H,5-10,15-16H2,1-4H3.
What are the key properties of 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine?
2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylheptan-4-yl)oxymethyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 167227428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).