N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine

C17H26N2O2 — CID 76905275

IUPACN-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
SMILESCC(CCc1ccc(OCCCN2CCCC2)cc1)=NO
InChIInChI=1S/C17H26N2O2/c1-15(18-20)5-6-16-7-9-17(10-8-16)21-14-4-13-19-11-2-3-12-19/h7-10,20H,2-6,11-14H2,1H3
InChIKeyFLPCFZJJJXLELG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.33
Rot. Bonds8

About N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine

N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine (PubChem CID 76905275) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
PubChem CID76905275
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
SMILESCC(CCc1ccc(OCCCN2CCCC2)cc1)=NO
InChIInChI=1S/C17H26N2O2/c1-15(18-20)5-6-16-7-9-17(10-8-16)21-14-4-13-19-11-2-3-12-19/h7-10,20H,2-6,11-14H2,1H3
InChIKeyFLPCFZJJJXLELG-UHFFFAOYSA-N
XLogP3.33
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine (CID 76905275) is N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine is CC(CCc1ccc(OCCCN2CCCC2)cc1)=NO.
What is the InChIKey of N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine?
The InChIKey is FLPCFZJJJXLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15(18-20)5-6-16-7-9-17(10-8-16)21-14-4-13-19-11-2-3-12-19/h7-10,20H,2-6,11-14H2,1H3.
What are the key properties of N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine?
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine has a molecular weight of 290.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 76905275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).