N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine

C16H32N2O — CID 146606711

IUPACN-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine
SMILESC=CCC(CC)CN(C)/C=C/C[C@H](CC)CN(C)O
InChIInChI=1S/C16H32N2O/c1-6-10-15(7-2)13-17(4)12-9-11-16(8-3)14-18(5)19/h6,9,12,15-16,19H,1,7-8,10-11,13-14H2,2-5H3/b12-9+/t15?,16-/m0/s1
InChIKeyILYUPFLVNZHEKV-HMFFHQITSA-N
MW268.44 g/mol
LogP3.77
Rot. Bonds11

About N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine

N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine (PubChem CID 146606711) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine
PubChem CID146606711
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine
SMILESC=CCC(CC)CN(C)/C=C/C[C@H](CC)CN(C)O
InChIInChI=1S/C16H32N2O/c1-6-10-15(7-2)13-17(4)12-9-11-16(8-3)14-18(5)19/h6,9,12,15-16,19H,1,7-8,10-11,13-14H2,2-5H3/b12-9+/t15?,16-/m0/s1
InChIKeyILYUPFLVNZHEKV-HMFFHQITSA-N
XLogP3.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine?
The IUPAC name of N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine (CID 146606711) is N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine is C=CCC(CC)CN(C)/C=C/C[C@H](CC)CN(C)O.
What is the InChIKey of N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine?
The InChIKey is ILYUPFLVNZHEKV-HMFFHQITSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-10-15(7-2)13-17(4)12-9-11-16(8-3)14-18(5)19/h6,9,12,15-16,19H,1,7-8,10-11,13-14H2,2-5H3/b12-9+/t15?,16-/m0/s1.
What are the key properties of N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine?
N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine has a molecular weight of 268.44 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-2-ethyl-5-[[(2S)-2-ethylpent-4-enyl]-methylamino]pent-4-enyl]-N-methylhydroxylamine is sourced from PubChem (CID 146606711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).