N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide

C12H24N2O2 — CID 107703590

IUPACN-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
SMILESCC(NCCCCCCO)C(=O)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-10(12(16)14-11-6-7-11)13-8-4-2-3-5-9-15/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyYDBQRXDNGIQKRK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds9

About N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide

N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide (PubChem CID 107703590) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
PubChem CID107703590
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
SMILESCC(NCCCCCCO)C(=O)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-10(12(16)14-11-6-7-11)13-8-4-2-3-5-9-15/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyYDBQRXDNGIQKRK-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798
N-cyclopropyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 113248240
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide (CID 107703590) is N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide is CC(NCCCCCCO)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide?
The InChIKey is YDBQRXDNGIQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(12(16)14-11-6-7-11)13-8-4-2-3-5-9-15/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide?
N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide is sourced from PubChem (CID 107703590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).