N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine

C15H34N4 — CID 62889239

IUPACN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-4-5-6-7-16-8-9-18-12-14-19(15-13-18)11-10-17(2)3/h16H,4-15H2,1-3H3
InChIKeyIWOCAJXPKOCFAZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.95
Rot. Bonds10

About N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine

N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine (PubChem CID 62889239) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
PubChem CID62889239
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-4-5-6-7-16-8-9-18-12-14-19(15-13-18)11-10-17(2)3/h16H,4-15H2,1-3H3
InChIKeyIWOCAJXPKOCFAZ-UHFFFAOYSA-N
XLogP0.95
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.95
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

N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 130246433
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
4-[2-(dimethylamino)ethyl]-N-hexylpiperazine-1-carbothioamide
CID 60675352
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine (CID 62889239) is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine is CCCCCNCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine?
The InChIKey is IWOCAJXPKOCFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-4-5-6-7-16-8-9-18-12-14-19(15-13-18)11-10-17(2)3/h16H,4-15H2,1-3H3.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine?
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 0.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 62889239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).