N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine

C17H39N5 — CID 91574752

IUPACN',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
SMILESCCNCCN1CCN(CCN(C)CCN(CC)CC)CC1
InChIInChI=1S/C17H39N5/c1-5-18-8-9-21-14-16-22(17-15-21)13-11-19(4)10-12-20(6-2)7-3/h18H,5-17H2,1-4H3
InChIKeyAHJASQGECZXPAP-UHFFFAOYSA-N
MW313.53 g/mol
LogP0.49
Rot. Bonds12

About N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine

N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine (PubChem CID 91574752) has the molecular formula C17H39N5 and a molecular weight of 313.53 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
PubChem CID91574752
Molecular FormulaC17H39N5
Molecular Weight313.53 g/mol
Exact Mass313.32
IUPAC NameN',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
SMILESCCNCCN1CCN(CCN(C)CCN(CC)CC)CC1
InChIInChI=1S/C17H39N5/c1-5-18-8-9-21-14-16-22(17-15-21)13-11-19(4)10-12-20(6-2)7-3/h18H,5-17H2,1-4H3
InChIKeyAHJASQGECZXPAP-UHFFFAOYSA-N
XLogP0.49
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
CID 143677744
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
CID 62889239
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine (CID 91574752) is N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine is CCNCCN1CCN(CCN(C)CCN(CC)CC)CC1.
What is the InChIKey of N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The InChIKey is AHJASQGECZXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N5/c1-5-18-8-9-21-14-16-22(17-15-21)13-11-19(4)10-12-20(6-2)7-3/h18H,5-17H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine has a molecular weight of 313.53 g/mol, XLogP of 0.49, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 91574752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).