N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine

C24H39N3O — CID 15516928

IUPACN,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine
SMILESCCN(CC)CCCN1CC/C(=C/c2ccc(OCCN3CCCC3)cc2)C1
InChIInChI=1S/C24H39N3O/c1-3-25(4-2)15-7-16-27-17-12-23(21-27)20-22-8-10-24(11-9-22)28-19-18-26-13-5-6-14-26/h8-11,20H,3-7,12-19,21H2,1-2H3/b23-20-
InChIKeyOFUITALMIKDOCV-ATJXCDBQSA-N
MW385.60 g/mol
LogP3.98
Rot. Bonds11

About N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine

N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine (PubChem CID 15516928) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine
PubChem CID15516928
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine
SMILESCCN(CC)CCCN1CC/C(=C/c2ccc(OCCN3CCCC3)cc2)C1
InChIInChI=1S/C24H39N3O/c1-3-25(4-2)15-7-16-27-17-12-23(21-27)20-22-8-10-24(11-9-22)28-19-18-26-13-5-6-14-26/h8-11,20H,3-7,12-19,21H2,1-2H3/b23-20-
InChIKeyOFUITALMIKDOCV-ATJXCDBQSA-N
XLogP3.98
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol
CID 129409144
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine
CID 161436362
1-[4-[3-(diethylamino)propoxy]phenyl]propan-1-one;2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one;4-(3-piperidin-1-ylpropoxy)benzaldehyde
CID 172731670
(2E,5E)-2,5-bis[[4-[4-(azepan-1-yl)butoxy]phenyl]methylidene]cyclopentan-1-one
CID 71519171
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine (CID 15516928) is N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine is CCN(CC)CCCN1CC/C(=C/c2ccc(OCCN3CCCC3)cc2)C1.
What is the InChIKey of N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine?
The InChIKey is OFUITALMIKDOCV-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H39N3O/c1-3-25(4-2)15-7-16-27-17-12-23(21-27)20-22-8-10-24(11-9-22)28-19-18-26-13-5-6-14-26/h8-11,20H,3-7,12-19,21H2,1-2H3/b23-20-.
What are the key properties of N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine?
N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine has a molecular weight of 385.60 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 15516928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).