4-(2,2-diethylbutylamino)pentan-1-ol

C13H29NO — CID 115973347

IUPAC4-(2,2-diethylbutylamino)pentan-1-ol
SMILESCCC(CC)(CC)CNC(C)CCCO
InChIInChI=1S/C13H29NO/c1-5-13(6-2,7-3)11-14-12(4)9-8-10-15/h12,14-15H,5-11H2,1-4H3
InChIKeyRCQVPSXQKBXZNU-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds9

About 4-(2,2-diethylbutylamino)pentan-1-ol

4-(2,2-diethylbutylamino)pentan-1-ol (PubChem CID 115973347) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-(2,2-diethylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,2-diethylbutylamino)pentan-1-ol
PubChem CID115973347
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-(2,2-diethylbutylamino)pentan-1-ol
SMILESCCC(CC)(CC)CNC(C)CCCO
InChIInChI=1S/C13H29NO/c1-5-13(6-2,7-3)11-14-12(4)9-8-10-15/h12,14-15H,5-11H2,1-4H3
InChIKeyRCQVPSXQKBXZNU-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-[(hexan-2-ylamino)methyl]pentan-1-ol
CID 115726149
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-[(but-3-yn-2-ylamino)methyl]-2-ethylbutan-1-ol
CID 114415502
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate
CID 22677733
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592
1-(5-hydroxypentan-2-ylamino)-4,4-dimethylpentan-2-ol
CID 115972024
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethylbutylamino)pentan-1-ol?
The IUPAC name of 4-(2,2-diethylbutylamino)pentan-1-ol (CID 115973347) is 4-(2,2-diethylbutylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,2-diethylbutylamino)pentan-1-ol?
The canonical SMILES for 4-(2,2-diethylbutylamino)pentan-1-ol is CCC(CC)(CC)CNC(C)CCCO.
What is the InChIKey of 4-(2,2-diethylbutylamino)pentan-1-ol?
The InChIKey is RCQVPSXQKBXZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-13(6-2,7-3)11-14-12(4)9-8-10-15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 4-(2,2-diethylbutylamino)pentan-1-ol?
4-(2,2-diethylbutylamino)pentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethylbutylamino)pentan-1-ol is sourced from PubChem (CID 115973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).