4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol

C13H30N2O — CID 79360585

IUPAC4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
SMILESCCCN(CCC(C)(C)O)C(C)(CC)CN
InChIInChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3
InChIKeyFLURHDTWCMGTMD-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.99
Rot. Bonds8

About 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol

4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol (PubChem CID 79360585) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
PubChem CID79360585
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
SMILESCCCN(CCC(C)(C)O)C(C)(CC)CN
InChIInChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3
InChIKeyFLURHDTWCMGTMD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol (CID 79360585) is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol is CCCN(CCC(C)(C)O)C(C)(CC)CN.
What is the InChIKey of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The InChIKey is FLURHDTWCMGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3.
What are the key properties of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79360585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).