N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline

C18H30N2O — CID 62259743

IUPACN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
SMILESCc1cccc(N(C)CC2(CNCC(C)C)CCOC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)11-19-12-18(8-9-21-14-18)13-20(4)17-7-5-6-16(3)10-17/h5-7,10,15,19H,8-9,11-14H2,1-4H3
InChIKeyTVLLEQDQSMUEPX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline

N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline (PubChem CID 62259743) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
PubChem CID62259743
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
SMILESCc1cccc(N(C)CC2(CNCC(C)C)CCOC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)11-19-12-18(8-9-21-14-18)13-20(4)17-7-5-6-16(3)10-17/h5-7,10,15,19H,8-9,11-14H2,1-4H3
InChIKeyTVLLEQDQSMUEPX-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The IUPAC name of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline (CID 62259743) is N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline is Cc1cccc(N(C)CC2(CNCC(C)C)CCOC2)c1.
What is the InChIKey of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The InChIKey is TVLLEQDQSMUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)11-19-12-18(8-9-21-14-18)13-20(4)17-7-5-6-16(3)10-17/h5-7,10,15,19H,8-9,11-14H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline is sourced from PubChem (CID 62259743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).