3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol

C14H30N2O — CID 64797656

IUPAC3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN(CC)C(C)CC)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-12(4)16(7-3)10-14(11-17,15-6-2)13-8-9-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyLOXWHJDTBIIHHE-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds9

About 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol

3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol (PubChem CID 64797656) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
PubChem CID64797656
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN(CC)C(C)CC)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-12(4)16(7-3)10-14(11-17,15-6-2)13-8-9-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyLOXWHJDTBIIHHE-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol (CID 64797656) is 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol is CCNC(CO)(CN(CC)C(C)CC)C1CC1.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The InChIKey is LOXWHJDTBIIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-12(4)16(7-3)10-14(11-17,15-6-2)13-8-9-13/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol?
3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64797656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).