N-[(3-decyloxolan-3-yl)methyl]ethanamine

C17H35NO — CID 63502132

IUPACN-[(3-decyloxolan-3-yl)methyl]ethanamine
SMILESCCCCCCCCCCC1(CNCC)CCOC1
InChIInChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-17(15-18-4-2)13-14-19-16-17/h18H,3-16H2,1-2H3
InChIKeyCYQGFIGIXSZLDS-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds12

About N-[(3-decyloxolan-3-yl)methyl]ethanamine

N-[(3-decyloxolan-3-yl)methyl]ethanamine (PubChem CID 63502132) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(3-decyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-decyloxolan-3-yl)methyl]ethanamine
PubChem CID63502132
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(3-decyloxolan-3-yl)methyl]ethanamine
SMILESCCCCCCCCCCC1(CNCC)CCOC1
InChIInChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-17(15-18-4-2)13-14-19-16-17/h18H,3-16H2,1-2H3
InChIKeyCYQGFIGIXSZLDS-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
3-(bromomethyl)-3-nonyloxolane
CID 66050745
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
(3-octyloxan-3-yl)methanol
CID 66058603
3,3-dipentyloxane
CID 174267507
(4-octyloxan-4-yl)methanol
CID 66024090
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659

Frequently Asked Questions

What is the IUPAC name of N-[(3-decyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-decyloxolan-3-yl)methyl]ethanamine (CID 63502132) is N-[(3-decyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-decyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-decyloxolan-3-yl)methyl]ethanamine is CCCCCCCCCCC1(CNCC)CCOC1.
What is the InChIKey of N-[(3-decyloxolan-3-yl)methyl]ethanamine?
The InChIKey is CYQGFIGIXSZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-5-6-7-8-9-10-11-12-17(15-18-4-2)13-14-19-16-17/h18H,3-16H2,1-2H3.
What are the key properties of N-[(3-decyloxolan-3-yl)methyl]ethanamine?
N-[(3-decyloxolan-3-yl)methyl]ethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-decyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63502132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).