N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine

C20H41N2O+ — CID 123683404

IUPACN,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine
SMILESCCCCC(CCC)C(C)CN(C)C(C(C)C)=[N+]1CCOCC1
InChIInChI=1S/C20H41N2O/c1-7-9-11-19(10-8-2)18(5)16-21(6)20(17(3)4)22-12-14-23-15-13-22/h17-19H,7-16H2,1-6H3/q+1
InChIKeyQERMNPQNJZJBFZ-UHFFFAOYSA-N
MW325.56 g/mol
LogP4.26
Rot. Bonds9

About N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine

N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine (PubChem CID 123683404) has the molecular formula C20H41N2O+ and a molecular weight of 325.56 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine
PubChem CID123683404
Molecular FormulaC20H41N2O+
Molecular Weight325.56 g/mol
Exact Mass325.32
IUPAC NameN,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine
SMILESCCCCC(CCC)C(C)CN(C)C(C(C)C)=[N+]1CCOCC1
InChIInChI=1S/C20H41N2O/c1-7-9-11-19(10-8-2)18(5)16-21(6)20(17(3)4)22-12-14-23-15-13-22/h17-19H,7-16H2,1-6H3/q+1
InChIKeyQERMNPQNJZJBFZ-UHFFFAOYSA-N
XLogP4.26
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4,5-diethylnonane
CID 21188862
5-butyl-2,6-dimethyldecane
CID 123775332
2-butyl-3-propylbutane-1,4-diol
CID 87266771
11-butyl-12-methyldocosane
CID 151619606
9-butyl-10-methyloctadecane
CID 174796911
4-butan-2-yloctan-1-ol
CID 57029732
6,7-dimethyl-5-propyldodecane
CID 123459990
2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
4-propan-2-yl-5-propylnonane
CID 54297700
7-butan-2-yl-4-propylundecane
CID 123685614
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
6-ethyl-4-methyldecan-5-amine
CID 107893876

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine?
The IUPAC name of N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine (CID 123683404) is N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine is CCCCC(CCC)C(C)CN(C)C(C(C)C)=[N+]1CCOCC1.
What is the InChIKey of N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine?
The InChIKey is QERMNPQNJZJBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N2O/c1-7-9-11-19(10-8-2)18(5)16-21(6)20(17(3)4)22-12-14-23-15-13-22/h17-19H,7-16H2,1-6H3/q+1.
What are the key properties of N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine?
N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine has a molecular weight of 325.56 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methyl-1-morpholin-4-ium-4-ylidenepropyl)-3-propylheptan-1-amine is sourced from PubChem (CID 123683404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).