ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C13H32N2 — CID 142088421

IUPACethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCC.CCCN(CC)C(C)CCN(C)C
InChIInChI=1S/C11H26N2.C2H6/c1-6-9-13(7-2)11(3)8-10-12(4)5;1-2/h11H,6-10H2,1-5H3;1-2H3
InChIKeyFQNYPYMFZUIIPS-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.08
Rot. Bonds7

About ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 142088421) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID142088421
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC Nameethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCC.CCCN(CC)C(C)CCN(C)C
InChIInChI=1S/C11H26N2.C2H6/c1-6-9-13(7-2)11(3)8-10-12(4)5;1-2/h11H,6-10H2,1-5H3;1-2H3
InChIKeyFQNYPYMFZUIIPS-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N-ethyl-N-propylicosan-2-amine
CID 172693354
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
CID 23198614
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
ethane;N,N,3,4-tetramethyloctan-1-amine
CID 144533444
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62437054
propane;N,N,3-trimethylbutan-1-amine
CID 144828505

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 142088421) is ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CC.CCCN(CC)C(C)CCN(C)C.
What is the InChIKey of ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is FQNYPYMFZUIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.C2H6/c1-6-9-13(7-2)11(3)8-10-12(4)5;1-2/h11H,6-10H2,1-5H3;1-2H3.
What are the key properties of ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 216.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 142088421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).