3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine

C13H30N2O — CID 89058577

IUPAC3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine
SMILESCCC(CCN)COCC(C)(CC)CCN
InChIInChI=1S/C13H30N2O/c1-4-12(6-8-14)10-16-11-13(3,5-2)7-9-15/h12H,4-11,14-15H2,1-3H3
InChIKeyKWZRJWRCHBUHTK-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.14
Rot. Bonds10

About 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine

3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine (PubChem CID 89058577) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine
PubChem CID89058577
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine
SMILESCCC(CCN)COCC(C)(CC)CCN
InChIInChI=1S/C13H30N2O/c1-4-12(6-8-14)10-16-11-13(3,5-2)7-9-15/h12H,4-11,14-15H2,1-3H3
InChIKeyKWZRJWRCHBUHTK-UHFFFAOYSA-N
XLogP2.14
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine?
The IUPAC name of 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine (CID 89058577) is 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine.
What is the SMILES notation for 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine?
The canonical SMILES for 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine is CCC(CCN)COCC(C)(CC)CCN.
What is the InChIKey of 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine?
The InChIKey is KWZRJWRCHBUHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-12(6-8-14)10-16-11-13(3,5-2)7-9-15/h12H,4-11,14-15H2,1-3H3.
What are the key properties of 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine?
3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-ethylbutoxy)methyl]-3-methylpentan-1-amine is sourced from PubChem (CID 89058577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).