N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide

C12H26N2O2 — CID 103021601

IUPACN-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
SMILESCCCCC(CN)NC(=O)CC(C)(C)OC
InChIInChI=1S/C12H26N2O2/c1-5-6-7-10(9-13)14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyIJPZTWMDAMQODY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.44
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide

N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide (PubChem CID 103021601) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
PubChem CID103021601
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
SMILESCCCCC(CN)NC(=O)CC(C)(C)OC
InChIInChI=1S/C12H26N2O2/c1-5-6-7-10(9-13)14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyIJPZTWMDAMQODY-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 119668833
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide (CID 103021601) is N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide is CCCCC(CN)NC(=O)CC(C)(C)OC.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is IJPZTWMDAMQODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-7-10(9-13)14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide?
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).