2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine

C16H31NO2 — CID 62905055

IUPAC2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CC2CCOCC2)CCOCC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)17-13-16(6-10-19-11-7-16)12-14-4-8-18-9-5-14/h14,17H,4-13H2,1-3H3
InChIKeyTVUYYLNIVCSPOD-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine

2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 62905055) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID62905055
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CC2CCOCC2)CCOCC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)17-13-16(6-10-19-11-7-16)12-14-4-8-18-9-5-14/h14,17H,4-13H2,1-3H3
InChIKeyTVUYYLNIVCSPOD-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62392730
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
2-methyl-N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-2-amine
CID 106323698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine (CID 62905055) is 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine is CC(C)(C)NCC1(CC2CCOCC2)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is TVUYYLNIVCSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)17-13-16(6-10-19-11-7-16)12-14-4-8-18-9-5-14/h14,17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).