1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol

C10H25N3O — CID 138690559

IUPAC1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(CCCN)CCCN
InChIInChI=1S/C10H25N3O/c1-10(2,14)9-13(7-3-5-11)8-4-6-12/h14H,3-9,11-12H2,1-2H3
InChIKeyDCNLJDIAEBAMMQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP-0.24
Rot. Bonds8

About 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol

1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol (PubChem CID 138690559) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol
PubChem CID138690559
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Name1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN(CCCN)CCCN
InChIInChI=1S/C10H25N3O/c1-10(2,14)9-13(7-3-5-11)8-4-6-12/h14H,3-9,11-12H2,1-2H3
InChIKeyDCNLJDIAEBAMMQ-UHFFFAOYSA-N
XLogP-0.24
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol (CID 138690559) is 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol is CC(C)(O)CN(CCCN)CCCN.
What is the InChIKey of 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol?
The InChIKey is DCNLJDIAEBAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-10(2,14)9-13(7-3-5-11)8-4-6-12/h14H,3-9,11-12H2,1-2H3.
What are the key properties of 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol?
1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol has a molecular weight of 203.33 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-aminopropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 138690559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).