1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine

C10H24N2 — CID 154626302

IUPAC1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
SMILESCCCNC(C)NC(C)(C)CC
InChIInChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3
InChIKeyQJPMNFDVFBIMMH-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.11
Rot. Bonds6

About 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine

1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine (PubChem CID 154626302) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
PubChem CID154626302
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
SMILESCCCNC(C)NC(C)(C)CC
InChIInChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3
InChIKeyQJPMNFDVFBIMMH-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The IUPAC name of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine (CID 154626302) is 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The canonical SMILES for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine is CCCNC(C)NC(C)(C)CC.
What is the InChIKey of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The InChIKey is QJPMNFDVFBIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3.
What are the key properties of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine is sourced from PubChem (CID 154626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).