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

C15H32N2O2 — CID 106176097

IUPAC4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C15H32N2O2/c1-4-6-13(9-11-16)7-8-14(19)17-15(3,5-2)10-12-18/h13,18H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyDEYNVBOETNOZEA-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.20
Rot. Bonds11

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

4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide (PubChem CID 106176097) 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)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
PubChem CID106176097
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C15H32N2O2/c1-4-6-13(9-11-16)7-8-14(19)17-15(3,5-2)10-12-18/h13,18H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyDEYNVBOETNOZEA-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
CID 106176028
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide (CID 106176097) is 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide is CCCC(CCN)CCC(=O)NC(C)(CC)CCO.
What is the InChIKey of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide?
The InChIKey is DEYNVBOETNOZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-6-13(9-11-16)7-8-14(19)17-15(3,5-2)10-12-18/h13,18H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide?
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide has a molecular weight of 272.43 g/mol, XLogP of 2.20, 11 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)heptanamide is sourced from PubChem (CID 106176097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).