1-amino-1-morpholin-4-ylheptadecan-4-one

C21H42N2O2 — CID 57166044

IUPAC1-amino-1-morpholin-4-ylheptadecan-4-one
SMILESCCCCCCCCCCCCCC(=O)CCC(N)N1CCOCC1
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)14-15-21(22)23-16-18-25-19-17-23/h21H,2-19,22H2,1H3
InChIKeyPOIUHDJLUGRPPX-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.65
Rot. Bonds16

About 1-amino-1-morpholin-4-ylheptadecan-4-one

1-amino-1-morpholin-4-ylheptadecan-4-one (PubChem CID 57166044) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-amino-1-morpholin-4-ylheptadecan-4-one.

Molecular Properties

Compound Name1-amino-1-morpholin-4-ylheptadecan-4-one
PubChem CID57166044
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1-amino-1-morpholin-4-ylheptadecan-4-one
SMILESCCCCCCCCCCCCCC(=O)CCC(N)N1CCOCC1
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)14-15-21(22)23-16-18-25-19-17-23/h21H,2-19,22H2,1H3
InChIKeyPOIUHDJLUGRPPX-UHFFFAOYSA-N
XLogP4.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yldecanoic acid
CID 57259608
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
4-hexadecan-8-ylmorpholine
CID 126489366
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
2-methyltetradecan-5-one
CID 19931308

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-morpholin-4-ylheptadecan-4-one?
The IUPAC name of 1-amino-1-morpholin-4-ylheptadecan-4-one (CID 57166044) is 1-amino-1-morpholin-4-ylheptadecan-4-one.
What is the SMILES notation for 1-amino-1-morpholin-4-ylheptadecan-4-one?
The canonical SMILES for 1-amino-1-morpholin-4-ylheptadecan-4-one is CCCCCCCCCCCCCC(=O)CCC(N)N1CCOCC1.
What is the InChIKey of 1-amino-1-morpholin-4-ylheptadecan-4-one?
The InChIKey is POIUHDJLUGRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)14-15-21(22)23-16-18-25-19-17-23/h21H,2-19,22H2,1H3.
What are the key properties of 1-amino-1-morpholin-4-ylheptadecan-4-one?
1-amino-1-morpholin-4-ylheptadecan-4-one has a molecular weight of 354.58 g/mol, XLogP of 4.65, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-morpholin-4-ylheptadecan-4-one is sourced from PubChem (CID 57166044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).