N-(1-aminohexan-2-yl)-3-propoxypropanamide

C12H26N2O2 — CID 80697621

IUPACN-(1-aminohexan-2-yl)-3-propoxypropanamide
SMILESCCCCC(CN)NC(=O)CCOCCC
InChIInChI=1S/C12H26N2O2/c1-3-5-6-11(10-13)14-12(15)7-9-16-8-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyTZCSUCOYOWJKDF-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.44
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-propoxypropanamide

N-(1-aminohexan-2-yl)-3-propoxypropanamide (PubChem CID 80697621) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-propoxypropanamide
PubChem CID80697621
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-aminohexan-2-yl)-3-propoxypropanamide
SMILESCCCCC(CN)NC(=O)CCOCCC
InChIInChI=1S/C12H26N2O2/c1-3-5-6-11(10-13)14-12(15)7-9-16-8-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyTZCSUCOYOWJKDF-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopentan-2-yl)-3-propoxypropanamide
CID 65191210
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119666787
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-propoxypropanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-propoxypropanamide (CID 80697621) is N-(1-aminohexan-2-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-propoxypropanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-propoxypropanamide is CCCCC(CN)NC(=O)CCOCCC.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-propoxypropanamide?
The InChIKey is TZCSUCOYOWJKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-6-11(10-13)14-12(15)7-9-16-8-4-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminohexan-2-yl)-3-propoxypropanamide?
N-(1-aminohexan-2-yl)-3-propoxypropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.44, 10 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-propoxypropanamide is sourced from PubChem (CID 80697621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).