4-ethoxybutan-1-amine;hydrochloride

C6H16ClNO — CID 87771260

IUPAC4-ethoxybutan-1-amine;hydrochloride
SMILESCCOCCCCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-2-8-6-4-3-5-7;/h2-7H2,1H3;1H
InChIKeyPTMIJYWWFFCGTN-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.18
Rot. Bonds5

About 4-ethoxybutan-1-amine;hydrochloride

4-ethoxybutan-1-amine;hydrochloride (PubChem CID 87771260) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 4-ethoxybutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-ethoxybutan-1-amine;hydrochloride
PubChem CID87771260
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name4-ethoxybutan-1-amine;hydrochloride
SMILESCCOCCCCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-2-8-6-4-3-5-7;/h2-7H2,1H3;1H
InChIKeyPTMIJYWWFFCGTN-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
4-ethoxybutoxymethanamine
CID 87914089
1-ethoxypropane;pentan-1-amine
CID 174936602
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
4-nonoxybutan-1-amine
CID 139664551
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
4-ethoxybutoxymethanethiol
CID 87914042
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine
CID 21130743

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybutan-1-amine;hydrochloride?
The IUPAC name of 4-ethoxybutan-1-amine;hydrochloride (CID 87771260) is 4-ethoxybutan-1-amine;hydrochloride.
What is the SMILES notation for 4-ethoxybutan-1-amine;hydrochloride?
The canonical SMILES for 4-ethoxybutan-1-amine;hydrochloride is CCOCCCCN.Cl.
What is the InChIKey of 4-ethoxybutan-1-amine;hydrochloride?
The InChIKey is PTMIJYWWFFCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-2-8-6-4-3-5-7;/h2-7H2,1H3;1H.
What are the key properties of 4-ethoxybutan-1-amine;hydrochloride?
4-ethoxybutan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutan-1-amine;hydrochloride is sourced from PubChem (CID 87771260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).