N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline

C14H21N3O — CID 167055048

IUPACN-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESC=NCNc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-15-12-16-13-4-6-14(7-5-13)18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-12H2
InChIKeyHTTWJHAVMQRVHM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds7

About N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline

N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 167055048) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID167055048
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESC=NCNc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-15-12-16-13-4-6-14(7-5-13)18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-12H2
InChIKeyHTTWJHAVMQRVHM-UHFFFAOYSA-N
XLogP2.23
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-piperidin-1-ylethoxy)aniline
CID 168584019
2-[[4-[2-(azepan-1-yl)ethoxy]phenyl]hydrazinylidene]propanedinitrile
CID 169338348
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
N-[2-(azepan-1-yl)ethyl]-4-(3-methylbutoxy)aniline
CID 54807391
4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline
CID 54807041
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-azidophenoxy)ethyl]azepane
CID 150834626
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409

Frequently Asked Questions

What is the IUPAC name of N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline (CID 167055048) is N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline is C=NCNc1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is HTTWJHAVMQRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-12-16-13-4-6-14(7-5-13)18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-12H2.
What are the key properties of N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline?
N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 247.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 167055048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).