5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine

C14H31N3O — CID 65176138

IUPAC5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
SMILESCCOCCCN1CCN(CCCCCN)CC1
InChIInChI=1S/C14H31N3O/c1-2-18-14-6-9-17-12-10-16(11-13-17)8-5-3-4-7-15/h2-15H2,1H3
InChIKeyFLBVXUIQBKWNNU-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.16
Rot. Bonds10

About 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine

5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine (PubChem CID 65176138) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
PubChem CID65176138
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
SMILESCCOCCCN1CCN(CCCCCN)CC1
InChIInChI=1S/C14H31N3O/c1-2-18-14-6-9-17-12-10-16(11-13-17)8-5-3-4-7-15/h2-15H2,1H3
InChIKeyFLBVXUIQBKWNNU-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine (CID 65176138) is 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine is CCOCCCN1CCN(CCCCCN)CC1.
What is the InChIKey of 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is FLBVXUIQBKWNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-2-18-14-6-9-17-12-10-16(11-13-17)8-5-3-4-7-15/h2-15H2,1H3.
What are the key properties of 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine?
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 65176138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).