N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine

C15H31NO — CID 79364846

IUPACN-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-16-11-13-7-6-8-17-14(13)9-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyXRBDXNGVEIFYCC-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds5

About N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79364846) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79364846
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-16-11-13-7-6-8-17-14(13)9-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyXRBDXNGVEIFYCC-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
2-methyl-N-[[2-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
CID 79364803
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114210659
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
CID 4712138
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114190488

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 79364846) is N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCOC1CC(C)(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XRBDXNGVEIFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)10-16-11-13-7-6-8-17-14(13)9-15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).