N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

C22H34N2O — CID 50986575

IUPACN-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCO/N=C1/CCCCC/C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-16-25-23-22-14-10-6-9-13-21(22)17-20-11-7-5-8-12-20/h5,7-8,11-12,17-19H,6,9-10,13-16H2,1-4H3/b21-17-,23-22-
InChIKeyVIHOHTOSUXOBSD-SWBQMFLXSA-N
MW342.53 g/mol
LogP5.53
Rot. Bonds7

About N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 50986575) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID50986575
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC NameN-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCO/N=C1/CCCCC/C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-16-25-23-22-14-10-6-9-13-21(22)17-20-11-7-5-8-12-20/h5,7-8,11-12,17-19H,6,9-10,13-16H2,1-4H3/b21-17-,23-22-
InChIKeyVIHOHTOSUXOBSD-SWBQMFLXSA-N
XLogP5.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[(E)-[(2E)-2-benzylidenecyclooctylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 14752000
N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine
CID 134106823
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136
(Z,2Z)-2-benzylidene-N-[1-(2-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
CID 88808899
N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 6510149
ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 54561569
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate
CID 20843761
1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-N,N-dimethylpropan-1-amine
CID 173451210
3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine
CID 173334150
N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
CID 173451113
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine (CID 50986575) is N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCO/N=C1/CCCCC/C1=C/c1ccccc1)C(C)C.
What is the InChIKey of N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VIHOHTOSUXOBSD-SWBQMFLXSA-N. The full InChI is InChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-16-25-23-22-14-10-6-9-13-21(22)17-20-11-7-5-8-12-20/h5,7-8,11-12,17-19H,6,9-10,13-16H2,1-4H3/b21-17-,23-22-.
What are the key properties of N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 342.53 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 50986575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).