4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide

C15H32N2O2 — CID 106176028

IUPAC4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
SMILESCCC(C)(CCO)NC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C15H32N2O2/c1-5-15(4,9-11-18)17-14(19)7-6-13(8-10-16)12(2)3/h12-13,18H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyCVFIJJLSJMOTAI-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.05
Rot. Bonds10

About 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide

4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide (PubChem CID 106176028) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
PubChem CID106176028
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
SMILESCCC(C)(CCO)NC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C15H32N2O2/c1-5-15(4,9-11-18)17-14(19)7-6-13(8-10-16)12(2)3/h12-13,18H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyCVFIJJLSJMOTAI-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
CID 106176097
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
4-(2-aminoethyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-methylhexanamide
CID 107219019
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide (CID 106176028) is 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide is CCC(C)(CCO)NC(=O)CCC(CCN)C(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide?
The InChIKey is CVFIJJLSJMOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-15(4,9-11-18)17-14(19)7-6-13(8-10-16)12(2)3/h12-13,18H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide has a molecular weight of 272.43 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide is sourced from PubChem (CID 106176028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).