N,2-dimethylpropanamide;4-pentylmorpholine

C14H30N2O2 — CID 170583919

IUPACN,2-dimethylpropanamide;4-pentylmorpholine
SMILESCCCCCN1CCOCC1.CNC(=O)C(C)C
InChIInChI=1S/C9H19NO.C5H11NO/c1-2-3-4-5-10-6-8-11-9-7-10;1-4(2)5(7)6-3/h2-9H2,1H3;4H,1-3H3,(H,6,7)
InChIKeyCCCRTFAIZGKXKF-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.90
Rot. Bonds5

About N,2-dimethylpropanamide;4-pentylmorpholine

N,2-dimethylpropanamide;4-pentylmorpholine (PubChem CID 170583919) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,2-dimethylpropanamide;4-pentylmorpholine.

Molecular Properties

Compound NameN,2-dimethylpropanamide;4-pentylmorpholine
PubChem CID170583919
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN,2-dimethylpropanamide;4-pentylmorpholine
SMILESCCCCCN1CCOCC1.CNC(=O)C(C)C
InChIInChI=1S/C9H19NO.C5H11NO/c1-2-3-4-5-10-6-8-11-9-7-10;1-4(2)5(7)6-3/h2-9H2,1H3;4H,1-3H3,(H,6,7)
InChIKeyCCCRTFAIZGKXKF-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
CID 171540702
4-hexylmorpholine
CID 3614751
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
18-morpholin-4-yloctadecan-7-ol
CID 154324774
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
4-(4-methylnonyl)morpholine
CID 170444016
butane;4-butylmorpholine
CID 177152600
4-hexyl-1,4-oxazepane
CID 166849903
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
ethane;N-methyl-7-morpholin-4-ylheptanamide
CID 176680362

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropanamide;4-pentylmorpholine?
The IUPAC name of N,2-dimethylpropanamide;4-pentylmorpholine (CID 170583919) is N,2-dimethylpropanamide;4-pentylmorpholine.
What is the SMILES notation for N,2-dimethylpropanamide;4-pentylmorpholine?
The canonical SMILES for N,2-dimethylpropanamide;4-pentylmorpholine is CCCCCN1CCOCC1.CNC(=O)C(C)C.
What is the InChIKey of N,2-dimethylpropanamide;4-pentylmorpholine?
The InChIKey is CCCRTFAIZGKXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C5H11NO/c1-2-3-4-5-10-6-8-11-9-7-10;1-4(2)5(7)6-3/h2-9H2,1H3;4H,1-3H3,(H,6,7).
What are the key properties of N,2-dimethylpropanamide;4-pentylmorpholine?
N,2-dimethylpropanamide;4-pentylmorpholine has a molecular weight of 258.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanamide;4-pentylmorpholine is sourced from PubChem (CID 170583919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).