4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide

C14H30N2O3 — CID 106188734

IUPAC4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
SMILESCOCC(CO)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-14(2,3)11(7-8-15)5-6-13(18)16-12(9-17)10-19-4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyBBQJGJJNFWUMNJ-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.90
Rot. Bonds9

About 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide (PubChem CID 106188734) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
PubChem CID106188734
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
SMILESCOCC(CO)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-14(2,3)11(7-8-15)5-6-13(18)16-12(9-17)10-19-4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyBBQJGJJNFWUMNJ-UHFFFAOYSA-N
XLogP0.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
2-(2-methylpropoxy)ethyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106448205
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
N-(4-amino-1-methoxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114150665
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide (CID 106188734) is 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide is COCC(CO)NC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide?
The InChIKey is BBQJGJJNFWUMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-14(2,3)11(7-8-15)5-6-13(18)16-12(9-17)10-19-4/h11-12,17H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide has a molecular weight of 274.40 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide is sourced from PubChem (CID 106188734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).