N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline

C17H26N2 — CID 103561450

IUPACN-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
SMILESCC(C)C1CC(Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2/c1-13(2)14-11-16(12-14)18-15-5-7-17(8-6-15)19-9-3-4-10-19/h5-8,13-14,16,18H,3-4,9-12H2,1-2H3
InChIKeyNBJTXHZRJDIIBY-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.13
Rot. Bonds4

About N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline

N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline (PubChem CID 103561450) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
PubChem CID103561450
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
SMILESCC(C)C1CC(Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2/c1-13(2)14-11-16(12-14)18-15-5-7-17(8-6-15)19-9-3-4-10-19/h5-8,13-14,16,18H,3-4,9-12H2,1-2H3
InChIKeyNBJTXHZRJDIIBY-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560994
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
CID 55139850
4-pyrrolidin-1-yl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43732195
N-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
1-oxo-N-(4-pyrrolidin-1-ylphenyl)thian-4-amine
CID 54981528
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline (CID 103561450) is N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline is CC(C)C1CC(Nc2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is NBJTXHZRJDIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)14-11-16(12-14)18-15-5-7-17(8-6-15)19-9-3-4-10-19/h5-8,13-14,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline?
N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 258.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 103561450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).