N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline

C17H28N2 — CID 62120321

IUPACN-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
SMILESCCCN(c1ccc(CNC(C)C)cc1C)C1CC1
InChIInChI=1S/C17H28N2/c1-5-10-19(16-7-8-16)17-9-6-15(11-14(17)4)12-18-13(2)3/h6,9,11,13,16,18H,5,7-8,10,12H2,1-4H3
InChIKeySFSLGCWNYYCIJN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.87
Rot. Bonds7

About N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline

N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline (PubChem CID 62120321) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
PubChem CID62120321
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
SMILESCCCN(c1ccc(CNC(C)C)cc1C)C1CC1
InChIInChI=1S/C17H28N2/c1-5-10-19(16-7-8-16)17-9-6-15(11-14(17)4)12-18-13(2)3/h6,9,11,13,16,18H,5,7-8,10,12H2,1-4H3
InChIKeySFSLGCWNYYCIJN-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline?
The IUPAC name of N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline (CID 62120321) is N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline is CCCN(c1ccc(CNC(C)C)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline?
The InChIKey is SFSLGCWNYYCIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-10-19(16-7-8-16)17-9-6-15(11-14(17)4)12-18-13(2)3/h6,9,11,13,16,18H,5,7-8,10,12H2,1-4H3.
What are the key properties of N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline?
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline is sourced from PubChem (CID 62120321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).