1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine

C10H28N6 — CID 153410752

IUPAC1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine
SMILESNCCNCCN(CCN)CC(N)CCN
InChIInChI=1S/C10H28N6/c11-2-1-10(14)9-16(7-4-13)8-6-15-5-3-12/h10,15H,1-9,11-14H2
InChIKeyRYGVDQIAKDPVCN-UHFFFAOYSA-N
MW232.38 g/mol
LogP-2.53
Rot. Bonds11

About 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine

1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine (PubChem CID 153410752) has the molecular formula C10H28N6 and a molecular weight of 232.38 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine
PubChem CID153410752
Molecular FormulaC10H28N6
Molecular Weight232.38 g/mol
Exact Mass232.24
IUPAC Name1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine
SMILESNCCNCCN(CCN)CC(N)CCN
InChIInChI=1S/C10H28N6/c11-2-1-10(14)9-16(7-4-13)8-6-15-5-3-12/h10,15H,1-9,11-14H2
InChIKeyRYGVDQIAKDPVCN-UHFFFAOYSA-N
XLogP-2.53
TPSA119.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 5-2.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
CID 87276093
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
CID 129302821
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
CID 174924471
N'-[2-[2-[2-[2-aminoethyl(3,3-dimethylbutyl)amino]ethylamino]ethyl-[2-[2-(3-methylbutylamino)ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 145003795
N',N'-bis(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]-N-ethyl-3-(5-methylhexyl)pentane-1,5-diamine
CID 134398360
2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane
CID 144837103
N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane
CID 176972890
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine?
The IUPAC name of 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine (CID 153410752) is 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine?
The canonical SMILES for 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine is NCCNCCN(CCN)CC(N)CCN.
What is the InChIKey of 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine?
The InChIKey is RYGVDQIAKDPVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28N6/c11-2-1-10(14)9-16(7-4-13)8-6-15-5-3-12/h10,15H,1-9,11-14H2.
What are the key properties of 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine?
1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine has a molecular weight of 232.38 g/mol, XLogP of -2.53, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine is sourced from PubChem (CID 153410752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).