3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine

C8H23N5 — CID 166682412

IUPAC3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine
SMILESNCCNC(CN)(CCN)CCN
InChIInChI=1S/C8H23N5/c9-3-1-8(7-12,2-4-10)13-6-5-11/h13H,1-7,9-12H2
InChIKeyQWQQZWMNMPCNMA-UHFFFAOYSA-N
MW189.31 g/mol
LogP-2.07
Rot. Bonds8

About 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine

3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine (PubChem CID 166682412) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine
PubChem CID166682412
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC Name3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine
SMILESNCCNC(CN)(CCN)CCN
InChIInChI=1S/C8H23N5/c9-3-1-8(7-12,2-4-10)13-6-5-11/h13H,1-7,9-12H2
InChIKeyQWQQZWMNMPCNMA-UHFFFAOYSA-N
XLogP-2.07
TPSA116.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
2-(2-aminoethylamino)-2,2-dicyanoacetamide
CID 57223449
2-(2-aminoethylamino)-2-methylpropanedinitrile
CID 139298489
1-(2-aminoethylamino)-1-methoxyethanol
CID 151770425
2-N,2-diethylbutane-1,2-diamine
CID 62066019
2-N-but-3-ynyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867907
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine
CID 139835101
2-(2-aminoethylamino)pent-3-en-2-ol
CID 54279355
cyclohexane;N'-methylethane-1,2-diamine
CID 174878613
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine?
The IUPAC name of 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine (CID 166682412) is 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine.
What is the SMILES notation for 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine?
The canonical SMILES for 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine is NCCNC(CN)(CCN)CCN.
What is the InChIKey of 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine?
The InChIKey is QWQQZWMNMPCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5/c9-3-1-8(7-12,2-4-10)13-6-5-11/h13H,1-7,9-12H2.
What are the key properties of 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine?
3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine has a molecular weight of 189.31 g/mol, XLogP of -2.07, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine is sourced from PubChem (CID 166682412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).