3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol

C14H31NO — CID 115907883

IUPAC3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
SMILESCCCC(C)CNCC(CC)(CC)CCO
InChIInChI=1S/C14H31NO/c1-5-8-13(4)11-15-12-14(6-2,7-3)9-10-16/h13,15-16H,5-12H2,1-4H3
InChIKeyQFOQIZBSFWQMMN-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds10

About 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol

3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol (PubChem CID 115907883) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
PubChem CID115907883
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
SMILESCCCC(C)CNCC(CC)(CC)CCO
InChIInChI=1S/C14H31NO/c1-5-8-13(4)11-15-12-14(6-2,7-3)9-10-16/h13,15-16H,5-12H2,1-4H3
InChIKeyQFOQIZBSFWQMMN-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
CID 115726149
4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
CID 28613575
2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252088
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol?
The IUPAC name of 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol (CID 115907883) is 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol is CCCC(C)CNCC(CC)(CC)CCO.
What is the InChIKey of 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol?
The InChIKey is QFOQIZBSFWQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-8-13(4)11-15-12-14(6-2,7-3)9-10-16/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol?
3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol is sourced from PubChem (CID 115907883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).