N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine

C22H38N2O6 — CID 163276313

IUPACN-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine
SMILESCCCOCCOCCOCCOCCOCCOc1ccc(/C(C)=N/NC)cc1
InChIInChI=1S/C22H38N2O6/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-22-7-5-21(6-8-22)20(2)24-23-3/h5-8,23H,4,9-19H2,1-3H3/b24-20+
InChIKeyXKIIUUOIBVPSRZ-HIXSDJFHSA-N
MW426.55 g/mol
LogP2.50
Rot. Bonds20

About N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine

N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine (PubChem CID 163276313) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine
PubChem CID163276313
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC NameN-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine
SMILESCCCOCCOCCOCCOCCOCCOc1ccc(/C(C)=N/NC)cc1
InChIInChI=1S/C22H38N2O6/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-22-7-5-21(6-8-22)20(2)24-23-3/h5-8,23H,4,9-19H2,1-3H3/b24-20+
InChIKeyXKIIUUOIBVPSRZ-HIXSDJFHSA-N
XLogP2.50
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine?
The IUPAC name of N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine (CID 163276313) is N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine.
What is the SMILES notation for N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine?
The canonical SMILES for N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine is CCCOCCOCCOCCOCCOCCOc1ccc(/C(C)=N/NC)cc1.
What is the InChIKey of N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine?
The InChIKey is XKIIUUOIBVPSRZ-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-22-7-5-21(6-8-22)20(2)24-23-3/h5-8,23H,4,9-19H2,1-3H3/b24-20+.
What are the key properties of N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine?
N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine has a molecular weight of 426.55 g/mol, XLogP of 2.50, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine is sourced from PubChem (CID 163276313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).