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

C19H28N2O — CID 134106823

IUPACN-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine
SMILESCC(C)NCCO/N=C1/CCCCC/C1=C\c1ccccc1
InChIInChI=1S/C19H28N2O/c1-16(2)20-13-14-22-21-19-12-8-4-7-11-18(19)15-17-9-5-3-6-10-17/h3,5-6,9-10,15-16,20H,4,7-8,11-14H2,1-2H3/b18-15+,21-19-
InChIKeyWYMJKVLDNHVXOY-YDDLXSOJSA-N
MW300.45 g/mol
LogP4.40
Rot. Bonds6

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

N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine (PubChem CID 134106823) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine
PubChem CID134106823
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine
SMILESCC(C)NCCO/N=C1/CCCCC/C1=C\c1ccccc1
InChIInChI=1S/C19H28N2O/c1-16(2)20-13-14-22-21-19-12-8-4-7-11-18(19)15-17-9-5-3-6-10-17/h3,5-6,9-10,15-16,20H,4,7-8,11-14H2,1-2H3/b18-15+,21-19-
InChIKeyWYMJKVLDNHVXOY-YDDLXSOJSA-N
XLogP4.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
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)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 50986575
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-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
CID 173451113
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852
3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine
CID 173334150
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
cyclohexylidenemethylbenzene
CID 4158813
(10E)-10-benzylidene-1-methyl-6,7,8,9-tetrahydro-5H-cycloocta[b]pyridin-1-ium iodide
CID 68832953

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine (CID 134106823) is N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine is CC(C)NCCO/N=C1/CCCCC/C1=C\c1ccccc1.
What is the InChIKey of N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine?
The InChIKey is WYMJKVLDNHVXOY-YDDLXSOJSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16(2)20-13-14-22-21-19-12-8-4-7-11-18(19)15-17-9-5-3-6-10-17/h3,5-6,9-10,15-16,20H,4,7-8,11-14H2,1-2H3/b18-15+,21-19-.
What are the key properties of N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine?
N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine has a molecular weight of 300.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine is sourced from PubChem (CID 134106823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).