1-[amino(propyl)amino]-2-methylpropan-2-ol

C7H18N2O — CID 166987679

IUPAC1-[amino(propyl)amino]-2-methylpropan-2-ol
SMILESCCCN(N)CC(C)(C)O
InChIInChI=1S/C7H18N2O/c1-4-5-9(8)6-7(2,3)10/h10H,4-6,8H2,1-3H3
InChIKeyNOXBIWFTNKIIAV-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.34
Rot. Bonds4

About 1-[amino(propyl)amino]-2-methylpropan-2-ol

1-[amino(propyl)amino]-2-methylpropan-2-ol (PubChem CID 166987679) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[amino(propyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[amino(propyl)amino]-2-methylpropan-2-ol
PubChem CID166987679
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-[amino(propyl)amino]-2-methylpropan-2-ol
SMILESCCCN(N)CC(C)(C)O
InChIInChI=1S/C7H18N2O/c1-4-5-9(8)6-7(2,3)10/h10H,4-6,8H2,1-3H3
InChIKeyNOXBIWFTNKIIAV-UHFFFAOYSA-N
XLogP0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(propyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[amino(propyl)amino]-2-methylpropan-2-ol (CID 166987679) is 1-[amino(propyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[amino(propyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[amino(propyl)amino]-2-methylpropan-2-ol is CCCN(N)CC(C)(C)O.
What is the InChIKey of 1-[amino(propyl)amino]-2-methylpropan-2-ol?
The InChIKey is NOXBIWFTNKIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-4-5-9(8)6-7(2,3)10/h10H,4-6,8H2,1-3H3.
What are the key properties of 1-[amino(propyl)amino]-2-methylpropan-2-ol?
1-[amino(propyl)amino]-2-methylpropan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(propyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 166987679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).