N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

C14H29NO2 — CID 62905226

IUPACN-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C14H29NO2/c1-13(2)11-15-12-14(5-4-8-16-3)6-9-17-10-7-14/h13,15H,4-12H2,1-3H3
InChIKeyNJLGGXBRKKCXIZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.46
Rot. Bonds8

About N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62905226) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62905226
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C14H29NO2/c1-13(2)11-15-12-14(5-4-8-16-3)6-9-17-10-7-14/h13,15H,4-12H2,1-3H3
InChIKeyNJLGGXBRKKCXIZ-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
CID 62907290
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
CID 115876394
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 62905226) is N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is COCCCC1(CNCC(C)C)CCOCC1.
What is the InChIKey of N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NJLGGXBRKKCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)11-15-12-14(5-4-8-16-3)6-9-17-10-7-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62905226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).