2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol

C10H24N2O — CID 123958853

IUPAC2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol
SMILESCNC(C)CC(C)(CO)CCCN
InChIInChI=1S/C10H24N2O/c1-9(12-3)7-10(2,8-13)5-4-6-11/h9,12-13H,4-8,11H2,1-3H3
InChIKeyMTKZACBQVUXTGC-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.72
Rot. Bonds7

About 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol

2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol (PubChem CID 123958853) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol
PubChem CID123958853
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol
SMILESCNC(C)CC(C)(CO)CCCN
InChIInChI=1S/C10H24N2O/c1-9(12-3)7-10(2,8-13)5-4-6-11/h9,12-13H,4-8,11H2,1-3H3
InChIKeyMTKZACBQVUXTGC-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol?
The IUPAC name of 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol (CID 123958853) is 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol?
The canonical SMILES for 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol is CNC(C)CC(C)(CO)CCCN.
What is the InChIKey of 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol?
The InChIKey is MTKZACBQVUXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(12-3)7-10(2,8-13)5-4-6-11/h9,12-13H,4-8,11H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol?
2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-2-methyl-4-(methylamino)pentan-1-ol is sourced from PubChem (CID 123958853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).