4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine

C11H24N2O — CID 176561006

IUPAC4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine
SMILESC=C(COC(C)(C)CC(C)N)C(C)N
InChIInChI=1S/C11H24N2O/c1-8(10(3)13)7-14-11(4,5)6-9(2)12/h9-10H,1,6-7,12-13H2,2-5H3
InChIKeyTVPAGTJYCMQEHM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.42
Rot. Bonds6

About 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine

4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine (PubChem CID 176561006) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine
PubChem CID176561006
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine
SMILESC=C(COC(C)(C)CC(C)N)C(C)N
InChIInChI=1S/C11H24N2O/c1-8(10(3)13)7-14-11(4,5)6-9(2)12/h9-10H,1,6-7,12-13H2,2-5H3
InChIKeyTVPAGTJYCMQEHM-UHFFFAOYSA-N
XLogP1.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine?
The IUPAC name of 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine (CID 176561006) is 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine?
The canonical SMILES for 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine is C=C(COC(C)(C)CC(C)N)C(C)N.
What is the InChIKey of 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine?
The InChIKey is TVPAGTJYCMQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(10(3)13)7-14-11(4,5)6-9(2)12/h9-10H,1,6-7,12-13H2,2-5H3.
What are the key properties of 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine?
4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylidenebutoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 176561006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).