N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine

C14H31N3 — CID 62557992

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCN(CC)CC1
InChIInChI=1S/C14H31N3/c1-4-6-7-8-15-13-14(3)17-11-9-16(5-2)10-12-17/h14-15H,4-13H2,1-3H3
InChIKeyKBNXIEBAAXNADU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine

N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine (PubChem CID 62557992) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
PubChem CID62557992
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCN(CC)CC1
InChIInChI=1S/C14H31N3/c1-4-6-7-8-15-13-14(3)17-11-9-16(5-2)10-12-17/h14-15H,4-13H2,1-3H3
InChIKeyKBNXIEBAAXNADU-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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

N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)propyl]pentan-1-amine
CID 107459676
N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
CID 13345125
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine
CID 111161545
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334
3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
CID 61241600
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
CID 62558359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine (CID 62557992) is N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine is CCCCCNCC(C)N1CCN(CC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine?
The InChIKey is KBNXIEBAAXNADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-6-7-8-15-13-14(3)17-11-9-16(5-2)10-12-17/h14-15H,4-13H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine is sourced from PubChem (CID 62557992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).