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

C14H31NO — CID 115726149

IUPAC3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
SMILESCCCCC(C)NCC(CC)(CC)CCO
InChIInChI=1S/C14H31NO/c1-5-8-9-13(4)15-12-14(6-2,7-3)10-11-16/h13,15-16H,5-12H2,1-4H3
InChIKeyWGUFFPANXIJWGZ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds10

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

3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol (PubChem CID 115726149) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
PubChem CID115726149
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
SMILESCCCCC(C)NCC(CC)(CC)CCO
InChIInChI=1S/C14H31NO/c1-5-8-9-13(4)15-12-14(6-2,7-3)10-11-16/h13,15-16H,5-12H2,1-4H3
InChIKeyWGUFFPANXIJWGZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-diethylbutylamino)pentan-1-ol
CID 115973347
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
1-N-hexan-2-yl-2-methylpentane-1,2-diamine
CID 62199149
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
CID 115907883
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol?
The IUPAC name of 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol (CID 115726149) is 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol is CCCCC(C)NCC(CC)(CC)CCO.
What is the InChIKey of 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol?
The InChIKey is WGUFFPANXIJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-8-9-13(4)15-12-14(6-2,7-3)10-11-16/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol?
3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol is sourced from PubChem (CID 115726149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).