N,N-diethylethanamine;N-ethylethanamine;propan-2-amine

C13H35N3 — CID 118481680

IUPACN,N-diethylethanamine;N-ethylethanamine;propan-2-amine
SMILESCC(C)N.CCN(CC)CC.CCNCC
InChIInChI=1S/C6H15N.C4H11N.C3H9N/c1-4-7(5-2)6-3;1-3-5-4-2;1-3(2)4/h4-6H2,1-3H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3
InChIKeyCVPKHEWXOWWVGG-UHFFFAOYSA-N
MW233.44 g/mol
LogP2.32
Rot. Bonds5

About N,N-diethylethanamine;N-ethylethanamine;propan-2-amine

N,N-diethylethanamine;N-ethylethanamine;propan-2-amine (PubChem CID 118481680) has the molecular formula C13H35N3 and a molecular weight of 233.44 g/mol. Its IUPAC name is N,N-diethylethanamine;N-ethylethanamine;propan-2-amine.

Molecular Properties

Compound NameN,N-diethylethanamine;N-ethylethanamine;propan-2-amine
PubChem CID118481680
Molecular FormulaC13H35N3
Molecular Weight233.44 g/mol
Exact Mass233.28
IUPAC NameN,N-diethylethanamine;N-ethylethanamine;propan-2-amine
SMILESCC(C)N.CCN(CC)CC.CCNCC
InChIInChI=1S/C6H15N.C4H11N.C3H9N/c1-4-7(5-2)6-3;1-3-5-4-2;1-3(2)4/h4-6H2,1-3H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3
InChIKeyCVPKHEWXOWWVGG-UHFFFAOYSA-N
XLogP2.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-ethylethanamine;propan-2-amine?
The IUPAC name of N,N-diethylethanamine;N-ethylethanamine;propan-2-amine (CID 118481680) is N,N-diethylethanamine;N-ethylethanamine;propan-2-amine.
What is the SMILES notation for N,N-diethylethanamine;N-ethylethanamine;propan-2-amine?
The canonical SMILES for N,N-diethylethanamine;N-ethylethanamine;propan-2-amine is CC(C)N.CCN(CC)CC.CCNCC.
What is the InChIKey of N,N-diethylethanamine;N-ethylethanamine;propan-2-amine?
The InChIKey is CVPKHEWXOWWVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H11N.C3H9N/c1-4-7(5-2)6-3;1-3-5-4-2;1-3(2)4/h4-6H2,1-3H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3.
What are the key properties of N,N-diethylethanamine;N-ethylethanamine;propan-2-amine?
N,N-diethylethanamine;N-ethylethanamine;propan-2-amine has a molecular weight of 233.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-ethylethanamine;propan-2-amine is sourced from PubChem (CID 118481680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).