2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine

C13H30N2O — CID 134415787

IUPAC2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C13H30N2O/c1-11(2)15-9-7-13(5,6)16-10-8-12(3,4)14/h11,15H,7-10,14H2,1-6H3
InChIKeyAUCMOQIVSAJHQO-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.30
Rot. Bonds8

About 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine

2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine (PubChem CID 134415787) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
PubChem CID134415787
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C13H30N2O/c1-11(2)15-9-7-13(5,6)16-10-8-12(3,4)14/h11,15H,7-10,14H2,1-6H3
InChIKeyAUCMOQIVSAJHQO-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine?
The IUPAC name of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine (CID 134415787) is 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine?
The canonical SMILES for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine is CC(C)NCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine?
The InChIKey is AUCMOQIVSAJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)15-9-7-13(5,6)16-10-8-12(3,4)14/h11,15H,7-10,14H2,1-6H3.
What are the key properties of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine?
2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine is sourced from PubChem (CID 134415787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).