1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol

C13H30N2O — CID 79470824

IUPAC1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol
SMILESCCC(C)CN(CC)C(C)CC(C)(O)CN
InChIInChI=1S/C13H30N2O/c1-6-11(3)9-15(7-2)12(4)8-13(5,16)10-14/h11-12,16H,6-10,14H2,1-5H3
InChIKeyLPORCGXDSTVDNM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds8

About 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol

1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol (PubChem CID 79470824) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol
PubChem CID79470824
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol
SMILESCCC(C)CN(CC)C(C)CC(C)(O)CN
InChIInChI=1S/C13H30N2O/c1-6-11(3)9-15(7-2)12(4)8-13(5,16)10-14/h11-12,16H,6-10,14H2,1-5H3
InChIKeyLPORCGXDSTVDNM-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol (CID 79470824) is 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol is CCC(C)CN(CC)C(C)CC(C)(O)CN.
What is the InChIKey of 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol?
The InChIKey is LPORCGXDSTVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-11(3)9-15(7-2)12(4)8-13(5,16)10-14/h11-12,16H,6-10,14H2,1-5H3.
What are the key properties of 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol?
1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 79470824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).