1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol

C11H26N2O — CID 59682113

IUPAC1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol
SMILESCCC(CN)CC(C)CNCC(C)O
InChIInChI=1S/C11H26N2O/c1-4-11(6-12)5-9(2)7-13-8-10(3)14/h9-11,13-14H,4-8,12H2,1-3H3
InChIKeyTUKWRBFGMMKZNO-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.97
Rot. Bonds8

About 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol

1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol (PubChem CID 59682113) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol
PubChem CID59682113
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol
SMILESCCC(CN)CC(C)CNCC(C)O
InChIInChI=1S/C11H26N2O/c1-4-11(6-12)5-9(2)7-13-8-10(3)14/h9-11,13-14H,4-8,12H2,1-3H3
InChIKeyTUKWRBFGMMKZNO-UHFFFAOYSA-N
XLogP0.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol (CID 59682113) is 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol is CCC(CN)CC(C)CNCC(C)O.
What is the InChIKey of 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol?
The InChIKey is TUKWRBFGMMKZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-11(6-12)5-9(2)7-13-8-10(3)14/h9-11,13-14H,4-8,12H2,1-3H3.
What are the key properties of 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol?
1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-methylhexyl]amino]propan-2-ol is sourced from PubChem (CID 59682113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).