2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol

C15H33NO — CID 106507791

IUPAC2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
SMILESCCCCC(CC)CC(CN)(CO)CC(C)C
InChIInChI=1S/C15H33NO/c1-5-7-8-14(6-2)10-15(11-16,12-17)9-13(3)4/h13-14,17H,5-12,16H2,1-4H3
InChIKeyBDCIGSLURPMIPN-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.58
Rot. Bonds10

About 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol

2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol (PubChem CID 106507791) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
PubChem CID106507791
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
SMILESCCCCC(CC)CC(CN)(CO)CC(C)C
InChIInChI=1S/C15H33NO/c1-5-7-8-14(6-2)10-15(11-16,12-17)9-13(3)4/h13-14,17H,5-12,16H2,1-4H3
InChIKeyBDCIGSLURPMIPN-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
2,2,4-triethyloctan-1-amine
CID 63522335
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
2-(aminomethyl)-2-(3-ethoxypropyl)-4-methylpentan-1-ol
CID 106507842
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
3,5-diethylnonan-3-amine
CID 63408454
(2S)-2-ethylhexan-1-amine
CID 6999997
3,7-diethyl-5,5-bis(methoxymethyl)undecane
CID 122444816
5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
CID 140650153
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol (CID 106507791) is 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol is CCCCC(CC)CC(CN)(CO)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol?
The InChIKey is BDCIGSLURPMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-7-8-14(6-2)10-15(11-16,12-17)9-13(3)4/h13-14,17H,5-12,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol?
2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol is sourced from PubChem (CID 106507791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).