1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine

C8H22N4O — CID 87415803

IUPAC1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine
SMILESCC(C)C(N)(N)OC(N)(N)C(C)C
InChIInChI=1S/C8H22N4O/c1-5(2)7(9,10)13-8(11,12)6(3)4/h5-6H,9-12H2,1-4H3
InChIKeyUEAMJRDEPNKHTQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.54
Rot. Bonds4

About 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine

1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine (PubChem CID 87415803) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine.

Molecular Properties

Compound Name1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine
PubChem CID87415803
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine
SMILESCC(C)C(N)(N)OC(N)(N)C(C)C
InChIInChI=1S/C8H22N4O/c1-5(2)7(9,10)13-8(11,12)6(3)4/h5-6H,9-12H2,1-4H3
InChIKeyUEAMJRDEPNKHTQ-UHFFFAOYSA-N
XLogP-0.54
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-Diaminopropoxy)propane-1,1-diamine
CID 19360642
1-Ethoxy-2-methylpropane-1,1-diamine
CID 19734755
1-(1,1-Diamino-2,2-dimethylpropoxy)-2,2-dimethylpropane-1,1-diamine
CID 87415655
1-(1,1-Diaminobutoxy)butane-1,1-diamine
CID 88337948
1-(1,1-Diamino-2-methylbutoxy)-2-methylbutane-1,1-diamine
CID 152183481
(1,1-Diamino-2-methylpropoxy)methanetriamine
CID 163523602

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine?
The IUPAC name of 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine (CID 87415803) is 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine.
What is the SMILES notation for 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine?
The canonical SMILES for 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine is CC(C)C(N)(N)OC(N)(N)C(C)C.
What is the InChIKey of 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine?
The InChIKey is UEAMJRDEPNKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O/c1-5(2)7(9,10)13-8(11,12)6(3)4/h5-6H,9-12H2,1-4H3.
What are the key properties of 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine?
1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine has a molecular weight of 190.29 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diamino-2-methylpropoxy)-2-methylpropane-1,1-diamine is sourced from PubChem (CID 87415803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).