1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol

C8H18N2O — CID 65277308

IUPAC1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN)C1CC1
InChIInChI=1S/C8H18N2O/c1-7(11)6-10(5-4-9)8-2-3-8/h7-8,11H,2-6,9H2,1H3
InChIKeyJTYQAXKPGSMEIU-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds5

About 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol

1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol (PubChem CID 65277308) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol
PubChem CID65277308
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN)C1CC1
InChIInChI=1S/C8H18N2O/c1-7(11)6-10(5-4-9)8-2-3-8/h7-8,11H,2-6,9H2,1H3
InChIKeyJTYQAXKPGSMEIU-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol (CID 65277308) is 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol is CC(O)CN(CCN)C1CC1.
What is the InChIKey of 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol?
The InChIKey is JTYQAXKPGSMEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)6-10(5-4-9)8-2-3-8/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol?
1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(cyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 65277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).