2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol

C14H30N2O — CID 114274826

IUPAC2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
SMILESCCCNC(C)C(C)(CC)N(CCO)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-9-15-12(3)14(4,6-2)16(10-11-17)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyBQSGYPAPIFHRAA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds9

About 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol

2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol (PubChem CID 114274826) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
PubChem CID114274826
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
SMILESCCCNC(C)C(C)(CC)N(CCO)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-9-15-12(3)14(4,6-2)16(10-11-17)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyBQSGYPAPIFHRAA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol (CID 114274826) is 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol is CCCNC(C)C(C)(CC)N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol?
The InChIKey is BQSGYPAPIFHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-15-12(3)14(4,6-2)16(10-11-17)13-7-8-13/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol?
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol is sourced from PubChem (CID 114274826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).