4-(4-pentylpiperazin-1-yl)butan-1-amine

C13H29N3 — CID 43252747

IUPAC4-(4-pentylpiperazin-1-yl)butan-1-amine
SMILESCCCCCN1CCN(CCCCN)CC1
InChIInChI=1S/C13H29N3/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14/h2-14H2,1H3
InChIKeyDBRFTAMXZBJIBR-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds8

About 4-(4-pentylpiperazin-1-yl)butan-1-amine

4-(4-pentylpiperazin-1-yl)butan-1-amine (PubChem CID 43252747) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-(4-pentylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-pentylpiperazin-1-yl)butan-1-amine
PubChem CID43252747
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-(4-pentylpiperazin-1-yl)butan-1-amine
SMILESCCCCCN1CCN(CCCCN)CC1
InChIInChI=1S/C13H29N3/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14/h2-14H2,1H3
InChIKeyDBRFTAMXZBJIBR-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-ethyl-4-undecylpiperazine
CID 21399231

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-pentylpiperazin-1-yl)butan-1-amine (CID 43252747) is 4-(4-pentylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-pentylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-pentylpiperazin-1-yl)butan-1-amine is CCCCCN1CCN(CCCCN)CC1.
What is the InChIKey of 4-(4-pentylpiperazin-1-yl)butan-1-amine?
The InChIKey is DBRFTAMXZBJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14/h2-14H2,1H3.
What are the key properties of 4-(4-pentylpiperazin-1-yl)butan-1-amine?
4-(4-pentylpiperazin-1-yl)butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 43252747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).