N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine

C14H27NO2 — CID 114113293

IUPACN-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(COCC2CC2)CCCOC1
InChIInChI=1S/C14H27NO2/c1-2-7-15-10-14(6-3-8-16-11-14)12-17-9-13-4-5-13/h13,15H,2-12H2,1H3
InChIKeyTVYCSGSUSFXJGX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine

N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 114113293) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID114113293
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(COCC2CC2)CCCOC1
InChIInChI=1S/C14H27NO2/c1-2-7-15-10-14(6-3-8-16-11-14)12-17-9-13-4-5-13/h13,15H,2-12H2,1H3
InChIKeyTVYCSGSUSFXJGX-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
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-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 106930739
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
1-[3-(cyclopropylmethoxymethyl)oxolan-3-yl]-N-methylmethanamine
CID 106930797
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine
CID 106930738
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine (CID 114113293) is N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1(COCC2CC2)CCCOC1.
What is the InChIKey of N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is TVYCSGSUSFXJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-7-15-10-14(6-3-8-16-11-14)12-17-9-13-4-5-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine?
N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114113293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).