3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol

C14H30N2O — CID 113469034

IUPAC3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(C)(CC)CNC1CC1
InChIInChI=1S/C14H30N2O/c1-4-14(3,11-15-13-7-8-13)12-16(5-2)9-6-10-17/h13,15,17H,4-12H2,1-3H3
InChIKeyJDKXTYZNQHPRQO-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds10

About 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol

3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol (PubChem CID 113469034) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
PubChem CID113469034
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(C)(CC)CNC1CC1
InChIInChI=1S/C14H30N2O/c1-4-14(3,11-15-13-7-8-13)12-16(5-2)9-6-10-17/h13,15,17H,4-12H2,1-3H3
InChIKeyJDKXTYZNQHPRQO-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol?
The IUPAC name of 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol (CID 113469034) is 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol is CCN(CCCO)CC(C)(CC)CNC1CC1.
What is the InChIKey of 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol?
The InChIKey is JDKXTYZNQHPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(3,11-15-13-7-8-13)12-16(5-2)9-6-10-17/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol?
3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol is sourced from PubChem (CID 113469034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).