N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine

C12H25NO — CID 144983565

IUPACN-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
SMILESCCCCCCNCC1(CC)COC1
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-13-9-12(4-2)10-14-11-12/h13H,3-11H2,1-2H3
InChIKeyRTDPQZHXEGDWDF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine

N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine (PubChem CID 144983565) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
PubChem CID144983565
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
SMILESCCCCCCNCC1(CC)COC1
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-13-9-12(4-2)10-14-11-12/h13H,3-11H2,1-2H3
InChIKeyRTDPQZHXEGDWDF-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
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-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine?
The IUPAC name of N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine (CID 144983565) is N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine?
The canonical SMILES for N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine is CCCCCCNCC1(CC)COC1.
What is the InChIKey of N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine?
The InChIKey is RTDPQZHXEGDWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-7-8-13-9-12(4-2)10-14-11-12/h13H,3-11H2,1-2H3.
What are the key properties of N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine?
N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 144983565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).