2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

C13H30N2 — CID 62422151

IUPAC2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CNC(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-7-9-15(8-2)13(11(3)4)10-14-12(5)6/h11-14H,7-10H2,1-6H3
InChIKeyGEDRNUZTAHZUDW-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds8

About 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (PubChem CID 62422151) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
PubChem CID62422151
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CNC(C)C)C(C)C
InChIInChI=1S/C13H30N2/c1-7-9-15(8-2)13(11(3)4)10-14-12(5)6/h11-14H,7-10H2,1-6H3
InChIKeyGEDRNUZTAHZUDW-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (CID 62422151) is 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is CCCN(CC)C(CNC(C)C)C(C)C.
What is the InChIKey of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The InChIKey is GEDRNUZTAHZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-9-15(8-2)13(11(3)4)10-14-12(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).