ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine

C15H38N2 — CID 142596203

IUPACethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCC.CC.CCCN(CC)C(CC)CN(C)C
InChIInChI=1S/C11H26N2.2C2H6/c1-6-9-13(8-3)11(7-2)10-12(4)5;2*1-2/h11H,6-10H2,1-5H3;2*1-2H3
InChIKeyICVKQFIXGGCQEW-UHFFFAOYSA-N
MW246.48 g/mol
LogP4.11
Rot. Bonds7

About ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine

ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine (PubChem CID 142596203) has the molecular formula C15H38N2 and a molecular weight of 246.48 g/mol. Its IUPAC name is ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
PubChem CID142596203
Molecular FormulaC15H38N2
Molecular Weight246.48 g/mol
Exact Mass246.30
IUPAC Nameethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCC.CC.CCCN(CC)C(CC)CN(C)C
InChIInChI=1S/C11H26N2.2C2H6/c1-6-9-13(8-3)11(7-2)10-12(4)5;2*1-2/h11H,6-10H2,1-5H3;2*1-2H3
InChIKeyICVKQFIXGGCQEW-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62420464
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
CID 139919620
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N,N-dipropylbutan-2-amine
CID 524229
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
CID 178182208
ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
CID 176567703
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
N,N-diethylpropan-1-amine;methane
CID 144711865

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine (CID 142596203) is ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine is CC.CC.CCCN(CC)C(CC)CN(C)C.
What is the InChIKey of ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is ICVKQFIXGGCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.2C2H6/c1-6-9-13(8-3)11(7-2)10-12(4)5;2*1-2/h11H,6-10H2,1-5H3;2*1-2H3.
What are the key properties of ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine?
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 246.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 142596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).