molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide

C13H32N2O — CID 166554721

IUPACmolecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
SMILESCCCCCNC(=O)CCCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C13H28N2O.2H2/c1-4-5-7-11-15-13(16)9-6-8-10-14-12(2)3;;/h12,14H,4-11H2,1-3H3,(H,15,16);2*1H
InChIKeyZXCYWMJSAIBNAB-UHFFFAOYSA-N
MW232.41 g/mol
LogP2.95
Rot. Bonds10

About molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide

molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide (PubChem CID 166554721) has the molecular formula C13H32N2O and a molecular weight of 232.41 g/mol. Its IUPAC name is molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
PubChem CID166554721
Molecular FormulaC13H32N2O
Molecular Weight232.41 g/mol
Exact Mass232.25
IUPAC Namemolecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
SMILESCCCCCNC(=O)CCCCNC(C)C.[H][H].[H][H]
InChIInChI=1S/C13H28N2O.2H2/c1-4-5-7-11-15-13(16)9-6-8-10-14-12(2)3;;/h12,14H,4-11H2,1-3H3,(H,15,16);2*1H
InChIKeyZXCYWMJSAIBNAB-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide?
The IUPAC name of molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide (CID 166554721) is molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide.
What is the SMILES notation for molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide?
The canonical SMILES for molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide is CCCCCNC(=O)CCCCNC(C)C.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide?
The InChIKey is ZXCYWMJSAIBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.2H2/c1-4-5-7-11-15-13(16)9-6-8-10-14-12(2)3;;/h12,14H,4-11H2,1-3H3,(H,15,16);2*1H.
What are the key properties of molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide?
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide has a molecular weight of 232.41 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 166554721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).