1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol

C16H34N2O — CID 79379941

IUPAC1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCCC(C)(CNC1CC1)CN(CC)CC(C)(C)O
InChIInChI=1S/C16H34N2O/c1-6-10-16(5,11-17-14-8-9-14)13-18(7-2)12-15(3,4)19/h14,17,19H,6-13H2,1-5H3
InChIKeyKRKXODZGKSKJCO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds10

About 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol

1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79379941) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79379941
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCCC(C)(CNC1CC1)CN(CC)CC(C)(C)O
InChIInChI=1S/C16H34N2O/c1-6-10-16(5,11-17-14-8-9-14)13-18(7-2)12-15(3,4)19/h14,17,19H,6-13H2,1-5H3
InChIKeyKRKXODZGKSKJCO-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol (CID 79379941) is 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol is CCCC(C)(CNC1CC1)CN(CC)CC(C)(C)O.
What is the InChIKey of 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is KRKXODZGKSKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-10-16(5,11-17-14-8-9-14)13-18(7-2)12-15(3,4)19/h14,17,19H,6-13H2,1-5H3.
What are the key properties of 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol?
1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).