3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide

C12H26N2O2 — CID 115725383

IUPAC3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
SMILESCCCC(CCO)CNC(C)CC(=O)NC
InChIInChI=1S/C12H26N2O2/c1-4-5-11(6-7-15)9-14-10(2)8-12(16)13-3/h10-11,14-15H,4-9H2,1-3H3,(H,13,16)
InChIKeyCUTLKRJMVUGXMV-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds9

About 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide

3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide (PubChem CID 115725383) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
PubChem CID115725383
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
SMILESCCCC(CCO)CNC(C)CC(=O)NC
InChIInChI=1S/C12H26N2O2/c1-4-5-11(6-7-15)9-14-10(2)8-12(16)13-3/h10-11,14-15H,4-9H2,1-3H3,(H,13,16)
InChIKeyCUTLKRJMVUGXMV-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
CID 106116641
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
CID 106115807
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
4-(2-hydroxyethyl)heptan-2-one
CID 143211527
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide (CID 115725383) is 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide is CCCC(CCO)CNC(C)CC(=O)NC.
What is the InChIKey of 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide?
The InChIKey is CUTLKRJMVUGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-11(6-7-15)9-14-10(2)8-12(16)13-3/h10-11,14-15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide?
3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide is sourced from PubChem (CID 115725383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).