N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine

C15H34N4 — CID 59108273

IUPACN-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
SMILESCCNCCCN1CCCNCCCN(CC)CC1
InChIInChI=1S/C15H34N4/c1-3-16-8-5-12-19-13-7-10-17-9-6-11-18(4-2)14-15-19/h16-17H,3-15H2,1-2H3
InChIKeyLAVOCDLCKHDZPR-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.99
Rot. Bonds6

About N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine

N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine (PubChem CID 59108273) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
PubChem CID59108273
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
SMILESCCNCCCN1CCCNCCCN(CC)CC1
InChIInChI=1S/C15H34N4/c1-3-16-8-5-12-19-13-7-10-17-9-6-11-18(4-2)14-15-19/h16-17H,3-15H2,1-2H3
InChIKeyLAVOCDLCKHDZPR-UHFFFAOYSA-N
XLogP0.99
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
3-(1,4-diazepan-1-yl)-N-methylpropan-1-amine;ethane;molecular hydrogen
CID 142021934
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-butyl-1,4-diazepane;ethane
CID 168976024
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine (CID 59108273) is N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine is CCNCCCN1CCCNCCCN(CC)CC1.
What is the InChIKey of N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine?
The InChIKey is LAVOCDLCKHDZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-3-16-8-5-12-19-13-7-10-17-9-6-11-18(4-2)14-15-19/h16-17H,3-15H2,1-2H3.
What are the key properties of N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine?
N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine is sourced from PubChem (CID 59108273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).