N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine

C26H58N6O — CID 159469073

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine
SMILESC/C(CC(C)C)=N\CCNCC/N=C(\C)CC(C)C.CC(=O)CC(C)C.NCCNCCN
InChIInChI=1S/C16H33N3.C6H12O.C4H13N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4;1-5(2)4-6(3)7;5-1-3-7-4-2-6/h13-14,17H,7-12H2,1-6H3;5H,4H2,1-3H3;7H,1-6H2/b18-15+,19-16+;;
InChIKeyLVOIXORVOVHRHA-JZMQSEERSA-N
MW470.79 g/mol
LogP3.70
Rot. Bonds16

About N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine

N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine (PubChem CID 159469073) has the molecular formula C26H58N6O and a molecular weight of 470.79 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine
PubChem CID159469073
Molecular FormulaC26H58N6O
Molecular Weight470.79 g/mol
Exact Mass470.47
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine
SMILESC/C(CC(C)C)=N\CCNCC/N=C(\C)CC(C)C.CC(=O)CC(C)C.NCCNCCN
InChIInChI=1S/C16H33N3.C6H12O.C4H13N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4;1-5(2)4-6(3)7;5-1-3-7-4-2-6/h13-14,17H,7-12H2,1-6H3;5H,4H2,1-3H3;7H,1-6H2/b18-15+,19-16+;;
InChIKeyLVOIXORVOVHRHA-JZMQSEERSA-N
XLogP3.70
TPSA117.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.79
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine (CID 159469073) is N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine is C/C(CC(C)C)=N\CCNCC/N=C(\C)CC(C)C.CC(=O)CC(C)C.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine?
The InChIKey is LVOIXORVOVHRHA-JZMQSEERSA-N. The full InChI is InChI=1S/C16H33N3.C6H12O.C4H13N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4;1-5(2)4-6(3)7;5-1-3-7-4-2-6/h13-14,17H,7-12H2,1-6H3;5H,4H2,1-3H3;7H,1-6H2/b18-15+,19-16+;;.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine?
N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine has a molecular weight of 470.79 g/mol, XLogP of 3.70, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;4-methylpentan-2-one;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine is sourced from PubChem (CID 159469073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).