1-(2-hexyloxan-3-yl)-N-methylmethanamine

C13H27NO — CID 79365540

IUPAC1-(2-hexyloxan-3-yl)-N-methylmethanamine
SMILESCCCCCCC1OCCCC1CNC
InChIInChI=1S/C13H27NO/c1-3-4-5-6-9-13-12(11-14-2)8-7-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyKBLMZSHHYGRUBD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 1-(2-hexyloxan-3-yl)-N-methylmethanamine

1-(2-hexyloxan-3-yl)-N-methylmethanamine (PubChem CID 79365540) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-hexyloxan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-hexyloxan-3-yl)-N-methylmethanamine
PubChem CID79365540
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-hexyloxan-3-yl)-N-methylmethanamine
SMILESCCCCCCC1OCCCC1CNC
InChIInChI=1S/C13H27NO/c1-3-4-5-6-9-13-12(11-14-2)8-7-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyKBLMZSHHYGRUBD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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

(2R,3S)-2-octyl-3-pentyloxane
CID 20849211
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
CID 79364803
(2S,3S)-2-heptyl-3-prop-1-en-2-yloxane
CID 101459503
3-(chloromethyl)-2-hexyloxolane
CID 79373695
2-tetradecyloxolane
CID 10683364
1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyloxan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-hexyloxan-3-yl)-N-methylmethanamine (CID 79365540) is 1-(2-hexyloxan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-hexyloxan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-hexyloxan-3-yl)-N-methylmethanamine is CCCCCCC1OCCCC1CNC.
What is the InChIKey of 1-(2-hexyloxan-3-yl)-N-methylmethanamine?
The InChIKey is KBLMZSHHYGRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-9-13-12(11-14-2)8-7-10-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(2-hexyloxan-3-yl)-N-methylmethanamine?
1-(2-hexyloxan-3-yl)-N-methylmethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyloxan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79365540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).