1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol

C14H30N2O3 — CID 82966232

IUPAC1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol
SMILESCCOCCN(CCOCC)CC(O)(CN)C1CC1
InChIInChI=1S/C14H30N2O3/c1-3-18-9-7-16(8-10-19-4-2)12-14(17,11-15)13-5-6-13/h13,17H,3-12,15H2,1-2H3
InChIKeyVWBSOJKQPHVJSO-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.46
Rot. Bonds12

About 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol

1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol (PubChem CID 82966232) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol
PubChem CID82966232
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol
SMILESCCOCCN(CCOCC)CC(O)(CN)C1CC1
InChIInChI=1S/C14H30N2O3/c1-3-18-9-7-16(8-10-19-4-2)12-14(17,11-15)13-5-6-13/h13,17H,3-12,15H2,1-2H3
InChIKeyVWBSOJKQPHVJSO-UHFFFAOYSA-N
XLogP0.46
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82965454
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63928069
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63925029
1-amino-2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 64820006
1-amino-2-cyclopropyl-3-[cyclopropyl(methyl)amino]propan-2-ol
CID 64820350
1-amino-2-cyclopropyl-3-hexoxypropan-2-ol
CID 64814184
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953790
1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103181567
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol (CID 82966232) is 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol is CCOCCN(CCOCC)CC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol?
The InChIKey is VWBSOJKQPHVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-18-9-7-16(8-10-19-4-2)12-14(17,11-15)13-5-6-13/h13,17H,3-12,15H2,1-2H3.
What are the key properties of 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol?
1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 82966232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).