N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline

C16H26N2O — CID 55070066

IUPACN-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
SMILESCC(C)NCC1CCC(CN(C)c2ccccc2)O1
InChIInChI=1S/C16H26N2O/c1-13(2)17-11-15-9-10-16(19-15)12-18(3)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyDJZAQOPUBVAZPK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds6

About N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline

N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline (PubChem CID 55070066) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
PubChem CID55070066
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
SMILESCC(C)NCC1CCC(CN(C)c2ccccc2)O1
InChIInChI=1S/C16H26N2O/c1-13(2)17-11-15-9-10-16(19-15)12-18(3)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3
InChIKeyDJZAQOPUBVAZPK-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline (CID 55070066) is N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline is CC(C)NCC1CCC(CN(C)c2ccccc2)O1.
What is the InChIKey of N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline?
The InChIKey is DJZAQOPUBVAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-11-15-9-10-16(19-15)12-18(3)14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3.
What are the key properties of N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline?
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 55070066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).