4-(2-aminoethoxy)butan-1-amine;ethane

C8H22N2O — CID 171066196

IUPAC4-(2-aminoethoxy)butan-1-amine;ethane
SMILESCC.NCCCCOCCN
InChIInChI=1S/C6H16N2O.C2H6/c7-3-1-2-5-9-6-4-8;1-2/h1-8H2;1-2H3
InChIKeyYWQPEJHVSOOUOB-UHFFFAOYSA-N
MW162.28 g/mol
LogP0.73
Rot. Bonds6

About 4-(2-aminoethoxy)butan-1-amine;ethane

4-(2-aminoethoxy)butan-1-amine;ethane (PubChem CID 171066196) has the molecular formula C8H22N2O and a molecular weight of 162.28 g/mol. Its IUPAC name is 4-(2-aminoethoxy)butan-1-amine;ethane.

Molecular Properties

Compound Name4-(2-aminoethoxy)butan-1-amine;ethane
PubChem CID171066196
Molecular FormulaC8H22N2O
Molecular Weight162.28 g/mol
Exact Mass162.17
IUPAC Name4-(2-aminoethoxy)butan-1-amine;ethane
SMILESCC.NCCCCOCCN
InChIInChI=1S/C6H16N2O.C2H6/c7-3-1-2-5-9-6-4-8;1-2/h1-8H2;1-2H3
InChIKeyYWQPEJHVSOOUOB-UHFFFAOYSA-N
XLogP0.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-nonoxybutan-1-amine
CID 139664551
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)butan-1-amine;ethane?
The IUPAC name of 4-(2-aminoethoxy)butan-1-amine;ethane (CID 171066196) is 4-(2-aminoethoxy)butan-1-amine;ethane.
What is the SMILES notation for 4-(2-aminoethoxy)butan-1-amine;ethane?
The canonical SMILES for 4-(2-aminoethoxy)butan-1-amine;ethane is CC.NCCCCOCCN.
What is the InChIKey of 4-(2-aminoethoxy)butan-1-amine;ethane?
The InChIKey is YWQPEJHVSOOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C2H6/c7-3-1-2-5-9-6-4-8;1-2/h1-8H2;1-2H3.
What are the key properties of 4-(2-aminoethoxy)butan-1-amine;ethane?
4-(2-aminoethoxy)butan-1-amine;ethane has a molecular weight of 162.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)butan-1-amine;ethane is sourced from PubChem (CID 171066196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).