(1,1-diamino-2-methylpropoxy)methanetriamine

C5H17N5O — CID 163523602

IUPAC(1,1-diamino-2-methylpropoxy)methanetriamine
SMILESCC(C)C(N)(N)OC(N)(N)N
InChIInChI=1S/C5H17N5O/c1-3(2)4(6,7)11-5(8,9)10/h3H,6-10H2,1-2H3
InChIKeyDMWPYQDFCLRWOL-UHFFFAOYSA-N
MW163.22 g/mol
LogP-2.28
Rot. Bonds3

About (1,1-diamino-2-methylpropoxy)methanetriamine

(1,1-diamino-2-methylpropoxy)methanetriamine (PubChem CID 163523602) has the molecular formula C5H17N5O and a molecular weight of 163.22 g/mol. Its IUPAC name is (1,1-diamino-2-methylpropoxy)methanetriamine.

Molecular Properties

Compound Name(1,1-diamino-2-methylpropoxy)methanetriamine
PubChem CID163523602
Molecular FormulaC5H17N5O
Molecular Weight163.22 g/mol
Exact Mass163.14
IUPAC Name(1,1-diamino-2-methylpropoxy)methanetriamine
SMILESCC(C)C(N)(N)OC(N)(N)N
InChIInChI=1S/C5H17N5O/c1-3(2)4(6,7)11-5(8,9)10/h3H,6-10H2,1-2H3
InChIKeyDMWPYQDFCLRWOL-UHFFFAOYSA-N
XLogP-2.28
TPSA139.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-diamino-2-methylpropoxy)methanetriamine?
The IUPAC name of (1,1-diamino-2-methylpropoxy)methanetriamine (CID 163523602) is (1,1-diamino-2-methylpropoxy)methanetriamine.
What is the SMILES notation for (1,1-diamino-2-methylpropoxy)methanetriamine?
The canonical SMILES for (1,1-diamino-2-methylpropoxy)methanetriamine is CC(C)C(N)(N)OC(N)(N)N.
What is the InChIKey of (1,1-diamino-2-methylpropoxy)methanetriamine?
The InChIKey is DMWPYQDFCLRWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H17N5O/c1-3(2)4(6,7)11-5(8,9)10/h3H,6-10H2,1-2H3.
What are the key properties of (1,1-diamino-2-methylpropoxy)methanetriamine?
(1,1-diamino-2-methylpropoxy)methanetriamine has a molecular weight of 163.22 g/mol, XLogP of -2.28, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diamino-2-methylpropoxy)methanetriamine is sourced from PubChem (CID 163523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).