1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine

C15H36N4 — CID 176568903

IUPAC1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
SMILESCNCCN(C)CCN(C)C(C)CCN(C)C(C)C
InChIInChI=1S/C15H36N4/c1-14(2)18(6)10-8-15(3)19(7)13-12-17(5)11-9-16-4/h14-16H,8-13H2,1-7H3
InChIKeyOSIKGGPMWPFNKS-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.19
Rot. Bonds11

About 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine

1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 176568903) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID176568903
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC Name1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
SMILESCNCCN(C)CCN(C)C(C)CCN(C)C(C)C
InChIInChI=1S/C15H36N4/c1-14(2)18(6)10-8-15(3)19(7)13-12-17(5)11-9-16-4/h14-16H,8-13H2,1-7H3
InChIKeyOSIKGGPMWPFNKS-UHFFFAOYSA-N
XLogP1.19
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine (CID 176568903) is 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine is CNCCN(C)CCN(C)C(C)CCN(C)C(C)C.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is OSIKGGPMWPFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-14(2)18(6)10-8-15(3)19(7)13-12-17(5)11-9-16-4/h14-16H,8-13H2,1-7H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine?
1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 1.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 176568903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).