3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol

C13H26N2O — CID 174712121

IUPAC3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)(C1CCC1)C1CCC1
InChIInChI=1S/C13H26N2O/c14-10-13(11-4-1-5-11,12-6-2-7-12)15-8-3-9-16/h11-12,15-16H,1-10,14H2
InChIKeyQIYPULPYLOOVCZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.26
Rot. Bonds7

About 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol

3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol (PubChem CID 174712121) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
PubChem CID174712121
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)(C1CCC1)C1CCC1
InChIInChI=1S/C13H26N2O/c14-10-13(11-4-1-5-11,12-6-2-7-12)15-8-3-9-16/h11-12,15-16H,1-10,14H2
InChIKeyQIYPULPYLOOVCZ-UHFFFAOYSA-N
XLogP1.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol (CID 174712121) is 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol is NCC(NCCCO)(C1CCC1)C1CCC1.
What is the InChIKey of 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol?
The InChIKey is QIYPULPYLOOVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-10-13(11-4-1-5-11,12-6-2-7-12)15-8-3-9-16/h11-12,15-16H,1-10,14H2.
What are the key properties of 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 174712121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).